CID 24958200

Niraparib

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N
InChI
InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
InChIKey
PCHKPVIQAHNQLW-CQSZACIVSA-N
Compound name
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

334
References

11921
Patents

320.1637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 175.2
[M+Na]+ 343.15292 181.5
[M-H]- 319.15642 180.0
[M+NH4]+ 338.19752 186.3
[M+K]+ 359.12686 174.3
[M+H-H2O]+ 303.16096 164.6
[M+HCOO]- 365.16190 191.1
[M+CH3COO]- 379.17755 184.1
[M+Na-2H]- 341.13837 177.2
[M]+ 320.16315 169.6
[M]- 320.16425 169.6
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