CID 135565554

Pamiparib

Structural Information

Molecular Formula
C16H15FN4O
SMILES
C[C@]12CCCN1CC3=NNC(=O)C4=C5C3=C2NC5=CC(=C4)F
InChI
InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
InChIKey
DENYZIUJOTUUNY-MRXNPFEDSA-N
Compound name
(2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

2998
Patents

298.123 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13028 160.3
[M+Na]+ 321.11222 170.1
[M+NH4]+ 316.15682 168.4
[M+K]+ 337.08616 167.2
[M-H]- 297.11572 158.5
[M+Na-2H]- 319.09767 161.6
[M]+ 298.12245 161.1
[M]- 298.12355 161.1
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