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

21
Patents

177.03607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 135.0
[M+Na]+ 200.02529 148.9
[M+NH4]+ 195.06989 143.5
[M+K]+ 215.99923 141.8
[M-H]- 176.02879 137.3
[M+Na-2H]- 198.01074 143.0
[M]+ 177.03552 138.0
[M]- 177.03662 138.0
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