CID 9623645

4-bromo-2-(2-(((phenylsulfonyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C22H18BrN3O5S
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18BrN3O5S/c23-18-11-12-20(31-22(28)16-7-3-1-4-8-16)17(13-18)14-24-26-21(27)15-25-32(29,30)19-9-5-2-6-10-19/h1-14,25H,15H2,(H,26,27)/b24-14+
InChIKey
HHEXRCAIEGIJQC-ZVHZXABRSA-N
Compound name
[2-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.0151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.02238 199.9
[M+Na]+ 538.00432 206.2
[M-H]- 514.00782 211.7
[M+NH4]+ 533.04892 209.0
[M+K]+ 553.97826 193.9
[M+H-H2O]+ 498.01236 195.0
[M+HCOO]- 560.01330 217.7
[M+CH3COO]- 574.02895 238.7
[M+Na-2H]- 535.98977 205.6
[M]+ 515.01455 220.9
[M]- 515.01565 220.9
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.