CID 9646812

4-{(e)-[(2-{[(4-chlorophenyl)sulfonyl]amino}benzoyl)hydrazono]methyl}-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C28H21BrClN3O6S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C28H21BrClN3O6S/c1-38-26-15-18(9-14-25(26)39-28(35)19-5-4-6-20(29)16-19)17-31-32-27(34)23-7-2-3-8-24(23)33-40(36,37)22-12-10-21(30)11-13-22/h2-17,33H,1H3,(H,32,34)/b31-17+
InChIKey
UCUQVNRBVCSEJX-KBVAKVRCSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

641.0023 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.00958 227.8
[M+Na]+ 663.99152 234.9
[M-H]- 639.99502 242.6
[M+NH4]+ 659.03612 232.9
[M+K]+ 679.96546 222.6
[M+H-H2O]+ 623.99956 222.6
[M+HCOO]- 686.00050 240.6
[M+CH3COO]- 700.01615 259.9
[M+Na-2H]- 661.97697 231.7
[M]+ 641.00175 252.8
[M]- 641.00285 252.8
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.