PubChemLite - 2378780-19-7 (C23H25N7O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C23H25N7O/c1-30(2)12-4-10-25-22(31)21-14-17-13-18(6-7-19(17)28-21)27-23-26-11-8-20(29-23)16-5-3-9-24-15-16/h3,5-9,11,13-15,28H,4,10,12H2,1-2H3,(H,25,31)(H,26,27,29)

InChIKey

MVURTVYPVLYLSO-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-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]+	416.21935	197.2
[M+Na]+	438.20129	202.8
[M-H]-	414.20479	203.2
[M+NH4]+	433.24589	203.3
[M+K]+	454.17523	195.9
[M+H-H2O]+	398.20933	184.6
[M+HCOO]-	460.21027	217.7
[M+CH3COO]-	474.22592	204.9
[M+Na-2H]-	436.18674	202.7
[M]+	415.21152	198.4
[M]-	415.21262	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.21935

197.2

[M+Na]+

438.20129

202.8

[M-H]-

414.20479

203.2

[M+NH4]+

433.24589

203.3

[M+K]+

454.17523

195.9

[M+H-H2O]+

398.20933

184.6

[M+HCOO]-

460.21027

217.7

[M+CH3COO]-

474.22592

204.9

[M+Na-2H]-

436.18674

202.7

[M]+

415.21152

198.4

[M]-

415.21262

198.4

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

2378780-19-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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