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 195.0
[M+Na]+ 442.09289 205.4
[M-H]- 418.09639 201.9
[M+NH4]+ 437.13749 197.6
[M+K]+ 458.06683 201.1
[M+H-H2O]+ 402.10093 177.5
[M+HCOO]- 464.10187 206.0
[M+CH3COO]- 478.11752 203.8
[M+Na-2H]- 440.07834 198.6
[M]+ 419.10312 208.9
[M]- 419.10422 208.9
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