CID 5430716

402736-67-8

Structural Information

Molecular Formula
C22H19ClN2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C22H19ClN2O5S/c1-15-3-10-19(11-4-15)31(27,28)25-24-14-16-5-12-20(21(13-16)29-2)30-22(26)17-6-8-18(23)9-7-17/h3-14,25H,1-2H3/b24-14-
InChIKey
GUNLTIRBFIJXPQ-OYKKKHCWSA-N
Compound name
[2-methoxy-4-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.0703 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.07758 205.6
[M+Na]+ 481.05952 219.3
[M+NH4]+ 476.10412 211.5
[M+K]+ 497.03346 209.9
[M-H]- 457.06302 211.2
[M+Na-2H]- 479.04497 214.9
[M]+ 458.06975 209.9
[M]- 458.07085 209.9
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.