PubChemLite - 1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[(1r)-1-phenylethoxy]methyl]- (C25H24FN3O3)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=CC=CC=C1)OCC2=CN(C3=CN=C(C=C32)C(=O)N(C)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O3/c1-17(19-6-4-3-5-7-19)32-16-20-15-29(14-18-8-10-21(26)11-9-18)24-13-27-23(12-22(20)24)25(30)28(2)31/h3-13,15,17,31H,14,16H2,1-2H3/t17-/m1/s1

InChIKey

PBFCDMZFAROAJJ-QGZVFWFLSA-N

Compound name

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[[(1R)-1-phenylethoxy]methyl]pyrrolo[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]+	434.18746	204.5
[M+Na]+	456.16940	211.1
[M-H]-	432.17290	211.7
[M+NH4]+	451.21400	213.1
[M+K]+	472.14334	205.8
[M+H-H2O]+	416.17744	192.4
[M+HCOO]-	478.17838	223.1
[M+CH3COO]-	492.19403	232.7
[M+Na-2H]-	454.15485	204.2
[M]+	433.17963	208.0
[M]-	433.18073	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.18746

204.5

[M+Na]+

456.16940

211.1

[M-H]-

432.17290

211.7

[M+NH4]+

451.21400

213.1

[M+K]+

472.14334

205.8

[M+H-H2O]+

416.17744

192.4

[M+HCOO]-

478.17838

223.1

[M+CH3COO]-

492.19403

232.7

[M+Na-2H]-

454.15485

204.2

[M]+

433.17963

208.0

[M]-

433.18073

208.0

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-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[(1r)-1-phenylethoxy]methyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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