CID 3066687

Azetidine, 1-((10-chloro-4-oxo-3-phenyl-4h-pyrido(2,1-a)phthalazin-1-yl)carbonyl)-3-methoxy-

Structural Information

Molecular Formula
C23H18ClN3O3
SMILES
COC1CN(C1)C(=O)C2=C3C4=C(C=CC(=C4)Cl)C=NN3C(=O)C(=C2)C5=CC=CC=C5
InChI
InChI=1S/C23H18ClN3O3/c1-30-17-12-26(13-17)22(28)20-10-19(14-5-3-2-4-6-14)23(29)27-21(20)18-9-16(24)8-7-15(18)11-25-27/h2-11,17H,12-13H2,1H3
InChIKey
UDAXRMZYQLFUEY-UHFFFAOYSA-N
Compound name
10-chloro-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

419.10367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11095 190.8
[M+Na]+ 442.09289 206.1
[M+NH4]+ 437.13749 194.7
[M+K]+ 458.06683 198.5
[M-H]- 418.09639 193.9
[M+Na-2H]- 440.07834 197.9
[M]+ 419.10312 193.3
[M]- 419.10422 193.3
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