CID 4962158

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanethioamide

Structural Information

Molecular Formula
C12H12N2S2
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)CC(=S)N
InChI
InChI=1S/C12H12N2S2/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKey
TYNXSOIJPOGOIE-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05147 152.3
[M+Na]+ 271.03341 161.9
[M-H]- 247.03691 157.8
[M+NH4]+ 266.07801 170.7
[M+K]+ 287.00735 155.7
[M+H-H2O]+ 231.04145 145.9
[M+HCOO]- 293.04239 165.7
[M+CH3COO]- 307.05804 164.5
[M+Na-2H]- 269.01886 150.9
[M]+ 248.04364 153.3
[M]- 248.04474 153.3
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.