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 187.0
[M+Na]+ 408.13186 200.9
[M+NH4]+ 403.17646 190.5
[M+K]+ 424.10580 194.1
[M-H]- 384.13536 189.9
[M+Na-2H]- 406.11731 194.0
[M]+ 385.14209 188.9
[M]- 385.14319 188.9
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