CID 373570

Nsc650023

Structural Information

Molecular Formula
C19H16ClN3O4
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)OC
InChI
InChI=1S/C19H16ClN3O4/c1-26-14-8-7-11(9-15(14)27-2)17-16(20)19(25)23(17)22-10-21-13-6-4-3-5-12(13)18(22)24/h3-10,16-17H,1-2H3
InChIKey
VYZNKZKKZRBCNW-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(3,4-dimethoxyphenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.08295 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.09023 183.2
[M+Na]+ 408.07217 194.0
[M-H]- 384.07567 189.8
[M+NH4]+ 403.11677 186.7
[M+K]+ 424.04611 191.3
[M+H-H2O]+ 368.08021 167.1
[M+HCOO]- 430.08115 195.9
[M+CH3COO]- 444.09680 222.2
[M+Na-2H]- 406.05762 185.7
[M]+ 385.08240 198.3
[M]- 385.08350 198.3
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

No patent data available for this compound.