CID 319370

N-[bis(methylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H13NO2S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C(SC)SC
InChI
InChI=1S/C10H13NO2S3/c1-8-4-6-9(7-5-8)16(12,13)11-10(14-2)15-3/h4-7H,1-3H3
InChIKey
OWIPGZGAUSIOAX-UHFFFAOYSA-N
Compound name
N-[bis(methylsulfanyl)methylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

54
Patents

275.01083 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01811 159.2
[M+Na]+ 298.00005 166.8
[M-H]- 274.00355 162.9
[M+NH4]+ 293.04465 175.9
[M+K]+ 313.97399 160.4
[M+H-H2O]+ 258.00809 152.4
[M+HCOO]- 320.00903 166.6
[M+CH3COO]- 334.02468 197.4
[M+Na-2H]- 295.98550 160.1
[M]+ 275.01028 161.9
[M]- 275.01138 161.9
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.