CID 155033943

Lerzeparib

Structural Information

Molecular Formula
C21H20FN3O2
SMILES
C[C@@]1(CCCN1)C2=CC=C(C=C2)C3=C4CONC(=O)C5=C4C(=CC(=C5)F)N3
InChI
InChI=1S/C21H20FN3O2/c1-21(7-2-8-23-21)13-5-3-12(4-6-13)19-16-11-27-25-20(26)15-9-14(22)10-17(24-19)18(15)16/h3-6,9-10,23-24H,2,7-8,11H2,1H3,(H,25,26)/t21-/m1/s1
InChIKey
FBKICCXLQKLXAZ-OAQYLSRUSA-N
Compound name
6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

365.15396 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16124 184.8
[M+Na]+ 388.14318 195.1
[M+NH4]+ 383.18778 191.7
[M+K]+ 404.11712 191.7
[M-H]- 364.14668 187.2
[M+Na-2H]- 386.12863 188.7
[M]+ 365.15341 186.9
[M]- 365.15451 186.9
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

patents stripe