CID 373559

Nsc650012

Structural Information

Molecular Formula
C17H14BrClN2O3
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C17H14BrClN2O3/c18-11-6-7-13(22)12(9-11)16-15(19)17(24)21(16)20-14(23)8-10-4-2-1-3-5-10/h1-7,9,15-16,22H,8H2,(H,20,23)
InChIKey
KLEYOPKIZRULRG-UHFFFAOYSA-N
Compound name
N-[2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.98764 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.99492 173.0
[M+Na]+ 430.97686 182.8
[M-H]- 406.98036 181.9
[M+NH4]+ 426.02146 180.4
[M+K]+ 446.95080 172.2
[M+H-H2O]+ 390.98490 165.6
[M+HCOO]- 452.98584 186.0
[M+CH3COO]- 467.00149 219.1
[M+Na-2H]- 428.96231 175.5
[M]+ 407.98709 200.2
[M]- 407.98819 200.2
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.