PubChemLite - 1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(2,4-difluorophenyl)methyl]-3-[[[(1-ethyl-2-pyrrolidinyl)methyl]amino]methyl]-n-methoxy- (C24H29F2N5O2)

Structural Information

Molecular Formula

SMILES

CCN1CCCC1CNCC2=CN(C3=CN=C(C=C32)C(=O)NOC)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H29F2N5O2/c1-3-30-8-4-5-19(30)12-27-11-17-15-31(14-16-6-7-18(25)9-21(16)26)23-13-28-22(10-20(17)23)24(32)29-33-2/h6-7,9-10,13,15,19,27H,3-5,8,11-12,14H2,1-2H3,(H,29,32)

InChIKey

GDMZYLNFKQWEAS-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	458.23622	208.6
[M+Na]+	480.21816	215.2
[M-H]-	456.22166	213.6
[M+NH4]+	475.26276	217.4
[M+K]+	496.19210	208.5
[M+H-H2O]+	440.22620	196.1
[M+HCOO]-	502.22714	226.3
[M+CH3COO]-	516.24279	239.3
[M+Na-2H]-	478.20361	205.2
[M]+	457.22839	209.7
[M]-	457.22949	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.23622

208.6

[M+Na]+

480.21816

215.2

[M-H]-

456.22166

213.6

[M+NH4]+

475.26276

217.4

[M+K]+

496.19210

208.5

[M+H-H2O]+

440.22620

196.1

[M+HCOO]-

502.22714

226.3

[M+CH3COO]-

516.24279

239.3

[M+Na-2H]-

478.20361

205.2

[M]+

457.22839

209.7

[M]-

457.22949

209.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(2,4-difluorophenyl)methyl]-3-[[[(1-ethyl-2-pyrrolidinyl)methyl]amino]methyl]-n-methoxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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