CID 83543

13513-93-4

Structural Information

Molecular Formula
C17H20N2O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H20N2O6S/c1-11-5-7-13(8-6-11)26(21,22)19-18-17(20)12-9-14(23-2)16(25-4)15(10-12)24-3/h5-10,19H,1-4H3,(H,18,20)
InChIKey
ACDYWAIEHULRGT-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.10422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.111496 185.1
[M+Na]+ 403.093438 191.7
[M-H]- 379.096944 192.1
[M+NH4]+ 398.138043 196.6
[M+K]+ 419.067378 189.2
[M+H-H2O]+ 363.101480 176.4
[M+HCOO]- 425.102421 204.1
[M+CH3COO]- 439.118071 220.7
[M+Na-2H]- 401.078886 187.8
[M]+ 380.10367142 192.5
[M]- 380.10476858 192.5
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.