CID 2736768

4-(4-methoxyphenyl)-2-pyrimidinethiol

Structural Information

Molecular Formula
C11H10N2OS
SMILES
COC1=CC=C(C=C1)C2=CC=NC(=S)N2
InChI
InChI=1S/C11H10N2OS/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(15)13-10/h2-7H,1H3,(H,12,13,15)
InChIKey
KSXDNCUHISGCTF-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

218.05139 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 144.3
[M+Na]+ 241.04061 154.5
[M-H]- 217.04411 147.8
[M+NH4]+ 236.08521 160.3
[M+K]+ 257.01455 148.8
[M+H-H2O]+ 201.04865 136.8
[M+HCOO]- 263.04959 161.0
[M+CH3COO]- 277.06524 156.9
[M+Na-2H]- 239.02606 149.0
[M]+ 218.05084 145.2
[M]- 218.05194 145.2
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

patents stripe