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]+ 358.095276 181.7
[M+Na]+ 380.077218 187.2
[M-H]- 356.080724 189.5
[M+NH4]+ 375.121823 186.7
[M+K]+ 396.051158 185.4
[M+H-H2O]+ 340.085260 166.7
[M+HCOO]- 402.086201 198.0
[M+CH3COO]- 416.101851 220.0
[M+Na-2H]- 378.062666 182.2
[M]+ 357.08745142 191.3
[M]- 357.08854858 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.