CID 373574

Nsc650027

Structural Information

Molecular Formula
C18H14ClN3O2
SMILES
CC1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C18H14ClN3O2/c1-11-6-8-12(9-7-11)16-15(19)18(24)22(16)21-10-20-14-5-3-2-4-13(14)17(21)23/h2-10,15-16H,1H3
InChIKey
NVUKHYBENWSVTK-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(4-methylphenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.07745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08473 173.4
[M+Na]+ 362.06667 184.7
[M-H]- 338.07017 179.9
[M+NH4]+ 357.11127 178.8
[M+K]+ 378.04061 180.5
[M+H-H2O]+ 322.07471 157.7
[M+HCOO]- 384.07565 186.3
[M+CH3COO]- 398.09130 184.0
[M+Na-2H]- 360.05212 177.0
[M]+ 339.07690 185.2
[M]- 339.07800 185.2
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.