CID 373569

Nsc650022

Structural Information

Molecular Formula
C17H11Cl2N3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11Cl2N3O2/c18-11-7-5-10(6-8-11)15-14(19)17(24)22(15)21-9-20-13-4-2-1-3-12(13)16(21)23/h1-9,14-15H
InChIKey
LNRZYBWNRWQHSW-UHFFFAOYSA-N
Compound name
3-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.02283 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03011 170.4
[M+Na]+ 382.01205 182.6
[M-H]- 358.01555 176.1
[M+NH4]+ 377.05665 175.7
[M+K]+ 397.98599 177.7
[M+H-H2O]+ 342.02009 155.4
[M+HCOO]- 404.02103 178.8
[M+CH3COO]- 418.03668 180.9
[M+Na-2H]- 379.99750 174.2
[M]+ 359.02228 183.1
[M]- 359.02338 183.1
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.