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

58
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

literature stripe

Patent stripe

patents stripe