CID 6872795

3-{2-[(4-methylphenyl)sulfonyl]carbohydrazonoyl}phenyl 4-methoxybenzoate

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-HZHRSRAPSA-N
Compound name
[3-[(E)-[(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 199.8
[M+Na]+ 447.09850 205.8
[M-H]- 423.10200 210.6
[M+NH4]+ 442.14310 209.4
[M+K]+ 463.07244 201.5
[M+H-H2O]+ 407.10654 189.3
[M+HCOO]- 469.10748 220.0
[M+CH3COO]- 483.12313 228.9
[M+Na-2H]- 445.08395 203.4
[M]+ 424.10873 205.4
[M]- 424.10983 205.4
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.