CID 6872572

2-methoxy-4-{2-[(4-methylphenyl)sulfonyl]carbohydrazonoyl}phenyl 4-chlorobenzoate

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-ZVHZXABRSA-N
Compound name
[2-methoxy-4-[(E)-[(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 206.0
[M+Na]+ 481.05952 213.6
[M-H]- 457.06302 217.3
[M+NH4]+ 476.10412 215.6
[M+K]+ 497.03346 208.1
[M+H-H2O]+ 441.06756 196.7
[M+HCOO]- 503.06850 221.9
[M+CH3COO]- 517.08415 233.6
[M+Na-2H]- 479.04497 208.7
[M]+ 458.06975 214.6
[M]- 458.07085 214.6
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.