CID 9671373

4-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H17ClN2O4S
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
InChI
InChI=1S/C21H17ClN2O4S/c1-15-2-12-20(13-3-15)29(26,27)24-23-14-16-4-10-19(11-5-16)28-21(25)17-6-8-18(22)9-7-17/h2-14,24H,1H3/b23-14+
InChIKey
VBYDHQRDFMXTIQ-OEAKJJBVSA-N
Compound name
[4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.05975 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.06703 198.2
[M+Na]+ 451.04897 212.3
[M+NH4]+ 446.09357 204.9
[M+K]+ 467.02291 202.4
[M-H]- 427.05247 204.4
[M+Na-2H]- 449.03442 208.4
[M]+ 428.05920 202.7
[M]- 428.06030 202.7
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.