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]+ 198.069566 140.2
[M+Na]+ 220.051508 150.5
[M-H]- 196.055014 141.7
[M+NH4]+ 215.096113 157.6
[M+K]+ 236.025448 146.5
[M+H-H2O]+ 180.059550 133.5
[M+HCOO]- 242.060491 157.1
[M+CH3COO]- 256.076141 186.3
[M+Na-2H]- 218.036956 141.7
[M]+ 197.06174142 141.7
[M]- 197.06283858 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.