CID 3048646

63917-27-1

Structural Information

Molecular Formula
C13H16N2S2
SMILES
CC1=CC(NC(=S)N1C2=CC=CC=C2S)(C)C
InChI
InChI=1S/C13H16N2S2/c1-9-8-13(2,3)14-12(17)15(9)10-6-4-5-7-11(10)16/h4-8,16H,1-3H3,(H,14,17)
InChIKey
HYMDTYGHYSUVHW-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-(2-sulfanylphenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0755 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08278 157.6
[M+Na]+ 287.06472 171.1
[M+NH4]+ 282.10932 167.9
[M+K]+ 303.03866 158.2
[M-H]- 263.06822 161.3
[M+Na-2H]- 285.05017 165.2
[M]+ 264.07495 161.8
[M]- 264.07605 161.8
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.