CID 11960529

Veliparib

Structural Information

Molecular Formula
C13H16N4O
SMILES
C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChI
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
InChIKey
JNAHVYVRKWKWKQ-CYBMUJFWSA-N
Compound name
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

405
References

12685
Patents

244.13242 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 154.1
[M+Na]+ 267.12164 164.0
[M+NH4]+ 262.16624 162.1
[M+K]+ 283.09558 161.1
[M-H]- 243.12514 155.0
[M+Na-2H]- 265.10709 159.9
[M]+ 244.13187 155.5
[M]- 244.13297 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe