CID 704292

19017-40-4

Structural Information

Molecular Formula

C₁₄H₁₈N₂S

SMILES

CC1=CC=C(C=C1)N2C(=CC(NC2=S)(C)C)C

InChI

InChI=1S/C14H18N2S/c1-10-5-7-12(8-6-10)16-11(2)9-14(3,4)15-13(16)17/h5-9H,1-4H3,(H,15,17)

InChIKey

BNKQZGSNBIHNBJ-UHFFFAOYSA-N

Compound name

4,6,6-trimethyl-3-(4-methylphenyl)-1H-pyrimidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 246.11906 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.12634	157.4
[M+Na]+	269.10828	171.7
[M+NH4]+	264.15288	167.5
[M+K]+	285.08222	160.1
[M-H]-	245.11178	161.1
[M+Na-2H]-	267.09373	165.7
[M]+	246.11851	161.3
[M]-	246.11961	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.