CID 374179

Nsc651655

Structural Information

Molecular Formula
C18H16ClN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H16ClN3O3/c1-11(23)20-14-9-7-13(8-10-14)17(24)21-22-16(15(19)18(22)25)12-5-3-2-4-6-12/h2-10,15-16H,1H3,(H,20,23)(H,21,24)
InChIKey
RPSARJLPRTVKIJ-UHFFFAOYSA-N
Compound name
4-acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09528 181.7
[M+Na]+ 380.07722 187.2
[M-H]- 356.08072 189.5
[M+NH4]+ 375.12182 186.7
[M+K]+ 396.05116 185.4
[M+H-H2O]+ 340.08526 166.7
[M+HCOO]- 402.08620 198.0
[M+CH3COO]- 416.10185 220.0
[M+Na-2H]- 378.06267 182.2
[M]+ 357.08745 191.3
[M]- 357.08855 191.3
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.