CID 58424881

Amelparib

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CCOC1=CC(=CC2=C1C3=C(CCCN3)C(=O)N2)CN4CCOCC4
InChI
InChI=1S/C19H25N3O3/c1-2-25-16-11-13(12-22-6-8-24-9-7-22)10-15-17(16)18-14(19(23)21-15)4-3-5-20-18/h10-11,20H,2-9,12H2,1H3,(H,21,23)
InChIKey
WBBZUHMHBSXBDT-UHFFFAOYSA-N
Compound name
10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

160
Patents

343.1896 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 183.7
[M+Na]+ 366.17882 188.5
[M-H]- 342.18232 184.4
[M+NH4]+ 361.22342 191.6
[M+K]+ 382.15276 182.8
[M+H-H2O]+ 326.18686 172.5
[M+HCOO]- 388.18780 191.0
[M+CH3COO]- 402.20345 190.3
[M+Na-2H]- 364.16427 186.6
[M]+ 343.18905 178.2
[M]- 343.19015 178.2
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