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 199.0
[M+Na]+ 451.04897 206.6
[M-H]- 427.05247 210.2
[M+NH4]+ 446.09357 209.7
[M+K]+ 467.02291 200.3
[M+H-H2O]+ 411.05701 189.9
[M+HCOO]- 473.05795 215.1
[M+CH3COO]- 487.07360 227.2
[M+Na-2H]- 449.03442 202.4
[M]+ 428.05920 205.5
[M]- 428.06030 205.5
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.