CID 2759656

17452-14-1

Structural Information

Molecular Formula
C10H10N2OS
SMILES
COC1=CC=C(C=C1)N2C=CNC2=S
InChI
InChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)
InChIKey
LIEBCNQPMNARMP-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

206.05139 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 141.9
[M+Na]+ 229.04061 152.7
[M-H]- 205.04411 145.8
[M+NH4]+ 224.08521 160.4
[M+K]+ 245.01455 147.9
[M+H-H2O]+ 189.04865 135.1
[M+HCOO]- 251.04959 159.8
[M+CH3COO]- 265.06524 155.2
[M+Na-2H]- 227.02606 144.2
[M]+ 206.05084 143.5
[M]- 206.05194 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe