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

387
References

9150
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 154.7
[M+Na]+ 267.12164 163.0
[M-H]- 243.12514 156.3
[M+NH4]+ 262.16624 172.7
[M+K]+ 283.09558 157.6
[M+H-H2O]+ 227.12968 147.0
[M+HCOO]- 289.13062 172.5
[M+CH3COO]- 303.14627 165.6
[M+Na-2H]- 265.10709 157.1
[M]+ 244.13187 150.1
[M]- 244.13297 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.