CID 51060810

Methyl 4-((2-(2-(4-(((4-chlorophenyl)sulfonyl)amino)benzoyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C29H24ClN3O6S
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H24ClN3O6S/c1-38-29(35)22-8-6-20(7-9-22)19-39-27-5-3-2-4-23(27)18-31-32-28(34)21-10-14-25(15-11-21)33-40(36,37)26-16-12-24(30)13-17-26/h2-18,33H,19H2,1H3,(H,32,34)/b31-18+
InChIKey
GVUSHQUPHNQLLC-FDAWAROLSA-N
Compound name
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.1074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.11468 234.8
[M+Na]+ 600.09662 238.8
[M-H]- 576.10012 247.8
[M+NH4]+ 595.14122 238.0
[M+K]+ 616.07056 233.5
[M+H-H2O]+ 560.10466 223.2
[M+HCOO]- 622.10560 249.7
[M+CH3COO]- 636.12125 256.8
[M+Na-2H]- 598.08207 237.3
[M]+ 577.10685 242.3
[M]- 577.10795 242.3
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.