CID 24696468

2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide

Structural Information

Molecular Formula
C8H11N3OS
SMILES
CC1=CC(=NC(=O)N1CC(=S)N)C
InChI
InChI=1S/C8H11N3OS/c1-5-3-6(2)11(4-7(9)13)8(12)10-5/h3H,4H2,1-2H3,(H2,9,13)
InChIKey
JJEYOHTVRFXESK-UHFFFAOYSA-N
Compound name
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06229 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06957 140.2
[M+Na]+ 220.05151 150.5
[M-H]- 196.05501 141.7
[M+NH4]+ 215.09611 157.6
[M+K]+ 236.02545 146.5
[M+H-H2O]+ 180.05955 133.5
[M+HCOO]- 242.06049 157.1
[M+CH3COO]- 256.07614 186.3
[M+Na-2H]- 218.03696 141.7
[M]+ 197.06174 141.7
[M]- 197.06284 141.7
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.