CID 374182

Nsc651658

Structural Information

Molecular Formula
C18H16ClN3O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H16ClN3O4/c1-10(23)20-13-6-2-12(3-7-13)17(25)21-22-16(15(19)18(22)26)11-4-8-14(24)9-5-11/h2-9,15-16,24H,1H3,(H,20,23)(H,21,25)
InChIKey
FRYOMEJLSYGIOX-UHFFFAOYSA-N
Compound name
4-acetamido-N-[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.08295 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09023 185.4
[M+Na]+ 396.07217 190.9
[M-H]- 372.07567 192.2
[M+NH4]+ 391.11677 189.2
[M+K]+ 412.04611 189.3
[M+H-H2O]+ 356.08021 170.6
[M+HCOO]- 418.08115 200.3
[M+CH3COO]- 432.09680 221.3
[M+Na-2H]- 394.05762 184.7
[M]+ 373.08240 195.0
[M]- 373.08350 195.0
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.