CID 768560

4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1h)-thione

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC(NC(=S)N1C2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H16N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)
InChIKey
XVHGXRIOJOSLFN-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-phenyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

35
Patents

232.10342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 150.4
[M+Na]+ 255.09264 159.5
[M-H]- 231.09614 153.5
[M+NH4]+ 250.13724 168.1
[M+K]+ 271.06658 153.9
[M+H-H2O]+ 215.10068 143.5
[M+HCOO]- 277.10162 163.4
[M+CH3COO]- 291.11727 162.0
[M+Na-2H]- 253.07809 152.8
[M]+ 232.10287 148.7
[M]- 232.10397 148.7
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