CID 1490196

4-(4-methylphenyl)-2-pyrimidinethiol

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

CC1=CC=C(C=C1)C2=CC=NC(=S)N2

InChI

InChI=1S/C11H10N2S/c1-8-2-4-9(5-3-8)10-6-7-12-11(14)13-10/h2-7H,1H3,(H,12,13,14)

InChIKey

ZRXJKQAUCSXMTF-UHFFFAOYSA-N

Compound name

6-(4-methylphenyl)-1H-pyrimidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 202.05647 Da
Monoisotopic Mass: 1.9
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]+	203.06375	141.8
[M+Na]+	225.04569	157.8
[M+NH4]+	220.09029	151.1
[M+K]+	241.01963	147.7
[M-H]-	201.04919	146.0
[M+Na-2H]-	223.03114	151.4
[M]+	202.05592	145.9
[M]-	202.05702	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.