CID 374192

Nsc651668

Structural Information

Molecular Formula
C18H15Cl2N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15Cl2N3O3/c1-10(24)21-14-8-4-12(5-9-14)17(25)22-23-16(15(20)18(23)26)11-2-6-13(19)7-3-11/h2-9,15-16H,1H3,(H,21,24)(H,22,25)
InChIKey
QCEQRDCZBULHAX-UHFFFAOYSA-N
Compound name
4-acetamido-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.04904 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.05632 185.2
[M+Na]+ 414.03826 192.1
[M-H]- 390.04176 192.4
[M+NH4]+ 409.08286 189.8
[M+K]+ 430.01220 189.1
[M+H-H2O]+ 374.04630 171.3
[M+HCOO]- 436.04724 196.7
[M+CH3COO]- 450.06289 225.0
[M+Na-2H]- 412.02371 184.5
[M]+ 391.04849 196.5
[M]- 391.04959 196.5
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.