CID 9645561

2-meo-4-(2-(((ph-sulfonyl)amino)acetyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H20BrN3O6S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H20BrN3O6S/c1-32-21-12-16(10-11-20(21)33-23(29)17-6-5-7-18(24)13-17)14-25-27-22(28)15-26-34(30,31)19-8-3-2-4-9-19/h2-14,26H,15H2,1H3,(H,27,28)/b25-14+
InChIKey
VYEJWPMEOVQZPV-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.02563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.03291 206.3
[M+Na]+ 568.01485 212.4
[M-H]- 544.01835 218.1
[M+NH4]+ 563.05945 214.2
[M+K]+ 583.98879 200.8
[M+H-H2O]+ 528.02289 200.9
[M+HCOO]- 590.02383 223.8
[M+CH3COO]- 604.03948 244.7
[M+Na-2H]- 566.00030 211.3
[M]+ 545.02508 229.1
[M]- 545.02618 229.1
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.