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]+ 249.051466 152.3
[M+Na]+ 271.033408 161.9
[M-H]- 247.036914 157.8
[M+NH4]+ 266.078013 170.7
[M+K]+ 287.007348 155.7
[M+H-H2O]+ 231.041450 145.9
[M+HCOO]- 293.042391 165.7
[M+CH3COO]- 307.058041 164.5
[M+Na-2H]- 269.018856 150.9
[M]+ 248.04364142 153.3
[M]- 248.04473858 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.