CID 25124592

5-(3-methoxyphenyl)-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C10H10N2OS
SMILES
COC1=CC=CC(=C1)C2=CNC(=S)N2
InChI
InChI=1S/C10H10N2OS/c1-13-8-4-2-3-7(5-8)9-6-11-10(14)12-9/h2-6H,1H3,(H2,11,12,14)
InChIKey
NAHCKRAVJDCJKM-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

206.05139 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 143.6
[M+Na]+ 229.04061 156.6
[M+NH4]+ 224.08521 151.7
[M+K]+ 245.01455 149.9
[M-H]- 205.04411 145.8
[M+Na-2H]- 227.02606 150.3
[M]+ 206.05084 146.4
[M]- 206.05194 146.4
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