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

14
Patents

419.10367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.110946 195.0
[M+Na]+ 442.092888 205.4
[M-H]- 418.096394 201.9
[M+NH4]+ 437.137493 197.6
[M+K]+ 458.066828 201.1
[M+H-H2O]+ 402.100930 177.5
[M+HCOO]- 464.101871 206.0
[M+CH3COO]- 478.117521 203.8
[M+Na-2H]- 440.078336 198.6
[M]+ 419.10312142 208.9
[M]- 419.10421858 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