CID 374177

Nsc651653

Structural Information

Molecular Formula
C16H12Br2ClN3O3
SMILES
C1=CC(=CC=C1C(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O)N
InChI
InChI=1S/C16H12Br2ClN3O3/c17-8-5-10(14(23)11(18)6-8)13-12(19)16(25)22(13)21-15(24)7-1-3-9(20)4-2-7/h1-6,12-13,23H,20H2,(H,21,24)
InChIKey
UJYUMVVFXITEMN-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.8934 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.90068 169.5
[M+Na]+ 509.88262 178.1
[M-H]- 485.88612 177.8
[M+NH4]+ 504.92722 176.0
[M+K]+ 525.85656 163.3
[M+H-H2O]+ 469.89066 169.8
[M+HCOO]- 531.89160 178.6
[M+CH3COO]- 545.90725 233.0
[M+Na-2H]- 507.86807 170.9
[M]+ 486.89285 208.2
[M]- 486.89395 208.2
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.