CID 686413

37489-48-8

Structural Information

Molecular Formula
C13H15ClN2S
SMILES
CC1=CC(NC(=S)N1C2=CC=C(C=C2)Cl)(C)C
InChI
InChI=1S/C13H15ClN2S/c1-9-8-13(2,3)15-12(17)16(9)11-6-4-10(14)5-7-11/h4-8H,1-3H3,(H,15,17)
InChIKey
TZQHCJOWRXAOJI-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

266.06445 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07173 159.3
[M+Na]+ 289.05367 174.5
[M+NH4]+ 284.09827 169.7
[M+K]+ 305.02761 162.3
[M-H]- 265.05717 163.0
[M+Na-2H]- 287.03912 167.8
[M]+ 266.06390 163.6
[M]- 266.06500 163.6
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

No patent data available for this compound.