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
1
Annotation Hits

6
References

201
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.