CID 5337684

Nsc254982

Structural Information

Molecular Formula
C13H14N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C)/C2=CC=CS2
InChI
InChI=1S/C13H14N2O2S2/c1-10-5-7-12(8-6-10)19(16,17)15-14-11(2)13-4-3-9-18-13/h3-9,15H,1-2H3/b14-11+
InChIKey
QYIGWVSKOVPXJX-SDNWHVSQSA-N
Compound name
4-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.04968 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05696 166.9
[M+Na]+ 317.03890 174.8
[M-H]- 293.04240 175.0
[M+NH4]+ 312.08350 184.7
[M+K]+ 333.01284 169.8
[M+H-H2O]+ 277.04694 160.0
[M+HCOO]- 339.04788 183.3
[M+CH3COO]- 353.06353 202.7
[M+Na-2H]- 315.02435 168.8
[M]+ 294.04913 169.9
[M]- 294.05023 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.