CID 3035129

Usaf el-61

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC=NC(=C1)N2C=CNC2=S
InChI
InChI=1S/C8H7N3S/c12-8-10-5-6-11(8)7-3-1-2-4-9-7/h1-6H,(H,10,12)
InChIKey
LSCOMGFYEWVYJG-UHFFFAOYSA-N
Compound name
3-pyridin-2-yl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.03607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.043346 133.8
[M+Na]+ 200.025288 144.9
[M-H]- 176.028794 136.3
[M+NH4]+ 195.069893 152.0
[M+K]+ 215.999228 139.9
[M+H-H2O]+ 160.033330 126.6
[M+HCOO]- 222.034271 150.9
[M+CH3COO]- 236.049921 147.1
[M+Na-2H]- 198.010736 137.6
[M]+ 177.03552142 133.4
[M]- 177.03661858 133.4
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