CID 373571

Nsc650024

Structural Information

Molecular Formula
C18H14ClN3O4
SMILES
COC1=C(C=CC(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O
InChI
InChI=1S/C18H14ClN3O4/c1-26-14-8-10(6-7-13(14)23)16-15(19)18(25)22(16)21-9-20-12-5-3-2-4-11(12)17(21)24/h2-9,15-16,23H,1H3
InChIKey
FJQMRKUEMXWJCB-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07458 179.7
[M+Na]+ 394.05652 190.6
[M-H]- 370.06002 185.3
[M+NH4]+ 389.10112 183.1
[M+K]+ 410.03046 187.4
[M+H-H2O]+ 354.06456 164.2
[M+HCOO]- 416.06550 191.4
[M+CH3COO]- 430.08115 217.3
[M+Na-2H]- 392.04197 182.4
[M]+ 371.06675 192.9
[M]- 371.06785 192.9
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

No patent data available for this compound.