CID 373558

Nsc650011

Structural Information

Molecular Formula
C17H13Br2ClN2O3
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C17H13Br2ClN2O3/c18-10-7-11(16(24)12(19)8-10)15-14(20)17(25)22(15)21-13(23)6-9-4-2-1-3-5-9/h1-5,7-8,14-15,24H,6H2,(H,21,23)
InChIKey
KOVHPMAQLHPRSJ-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.89816 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.90544 166.5
[M+Na]+ 508.88738 175.5
[M-H]- 484.89088 175.2
[M+NH4]+ 503.93198 173.7
[M+K]+ 524.86132 161.1
[M+H-H2O]+ 468.89542 168.2
[M+HCOO]- 530.89636 175.5
[M+CH3COO]- 544.91201 230.6
[M+Na-2H]- 506.87283 169.1
[M]+ 485.89761 206.9
[M]- 485.89871 206.9
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.