CID 3019302

83783-60-2

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CCN1C(=O)C(=C(NC1=S)C)C
InChI
InChI=1S/C8H12N2OS/c1-4-10-7(11)5(2)6(3)9-8(10)12/h4H2,1-3H3,(H,9,12)
InChIKey
VAXQNNWJGKJIJJ-UHFFFAOYSA-N
Compound name
3-ethyl-5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 135.3
[M+Na]+ 207.056248 147.2
[M-H]- 183.059754 136.3
[M+NH4]+ 202.100853 153.6
[M+K]+ 223.030188 142.5
[M+H-H2O]+ 167.064290 129.5
[M+HCOO]- 229.065231 151.3
[M+CH3COO]- 243.080881 180.0
[M+Na-2H]- 205.041696 137.2
[M]+ 184.06648142 137.7
[M]- 184.06757858 137.7
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.