CID 676215

306732-11-6

Structural Information

Molecular Formula
C13H14ClN3OS
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C)Cl
InChI
InChI=1S/C13H14ClN3OS/c1-9-3-4-10(7-11(9)14)16-12(18)8-19-13-15-5-6-17(13)2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKey
TXWMBSOYEQASRF-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0546 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06188 165.5
[M+Na]+ 318.04382 175.5
[M-H]- 294.04732 170.5
[M+NH4]+ 313.08842 181.7
[M+K]+ 334.01776 169.6
[M+H-H2O]+ 278.05186 158.2
[M+HCOO]- 340.05280 179.1
[M+CH3COO]- 354.06845 201.3
[M+Na-2H]- 316.02927 165.2
[M]+ 295.05405 170.7
[M]- 295.05515 170.7
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.