CID 965143

5392-23-4

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC1=CC(NC(=S)N1)(C)C
InChI
InChI=1S/C7H12N2S/c1-5-4-7(2,3)9-6(10)8-5/h4H,1-3H3,(H2,8,9,10)
InChIKey
XWJVPBHZMKZXII-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

22
Patents

156.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 131.2
[M+Na]+ 179.06133 139.9
[M-H]- 155.06483 129.8
[M+NH4]+ 174.10593 151.2
[M+K]+ 195.03527 135.7
[M+H-H2O]+ 139.06937 126.4
[M+HCOO]- 201.07031 142.8
[M+CH3COO]- 215.08596 170.9
[M+Na-2H]- 177.04678 134.1
[M]+ 156.07156 127.5
[M]- 156.07266 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe