CID 5430824

425612-10-8

Structural Information

Molecular Formula
C22H20N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H20N2O5S/c1-16-6-12-21(13-7-16)30(26,27)24-23-15-17-4-3-5-20(14-17)29-22(25)18-8-10-19(28-2)11-9-18/h3-15,24H,1-2H3/b23-15-
InChIKey
RVWDEXGPOMHPPD-HAHDFKILSA-N
Compound name
[3-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.10928 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11656 198.1
[M+Na]+ 447.09850 210.6
[M+NH4]+ 442.14310 203.7
[M+K]+ 463.07244 202.1
[M-H]- 423.10200 203.6
[M+Na-2H]- 445.08395 207.7
[M]+ 424.10873 201.8
[M]- 424.10983 201.8
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.