CID 9571414

Nsc657431

Structural Information

Molecular Formula
C16H18N4O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C=N/NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H18N4O4S2/c1-13-3-7-15(8-4-13)25(21,22)19-17-11-12-18-20-26(23,24)16-9-5-14(2)6-10-16/h3-12,19-20H,1-2H3/b17-11+,18-12+
InChIKey
LOSFGYNYLAIPPE-JYFOCSDGSA-N
Compound name
4-methyl-N-[(E)-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.07693 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08421 189.9
[M+Na]+ 417.06615 195.9
[M-H]- 393.06965 198.0
[M+NH4]+ 412.11075 201.1
[M+K]+ 433.04009 189.7
[M+H-H2O]+ 377.07419 180.3
[M+HCOO]- 439.07513 207.7
[M+CH3COO]- 453.09078 226.4
[M+Na-2H]- 415.05160 196.8
[M]+ 394.07638 193.5
[M]- 394.07748 193.5
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.