CID 3066686

Azetidine, 3-methoxy-1-((4-oxo-3-phenyl-4h-pyrido(2,1-a)phthalazin-1-yl)carbonyl)-

Structural Information

Molecular Formula
C23H19N3O3
SMILES
COC1CN(C1)C(=O)C2=C3C4=CC=CC=C4C=NN3C(=O)C(=C2)C5=CC=CC=C5
InChI
InChI=1S/C23H19N3O3/c1-29-17-13-25(14-17)22(27)20-11-19(15-7-3-2-4-8-15)23(28)26-21(20)18-10-6-5-9-16(18)12-24-26/h2-12,17H,13-14H2,1H3
InChIKey
GGIDEHNEDOQHCT-UHFFFAOYSA-N
Compound name
1-(3-methoxyazetidine-1-carbonyl)-3-phenylpyrido[2,1-a]phthalazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

385.14264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 192.1
[M+Na]+ 408.13186 200.8
[M-H]- 384.13536 199.2
[M+NH4]+ 403.17646 194.8
[M+K]+ 424.10580 197.6
[M+H-H2O]+ 368.13990 174.1
[M+HCOO]- 430.14084 207.5
[M+CH3COO]- 444.15649 200.8
[M+Na-2H]- 406.11731 196.6
[M]+ 385.14209 203.2
[M]- 385.14319 203.2
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

patents stripe