CID 3022084

93103-29-8

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC(=CN=C1)C2=CNC(=S)N2
InChI
InChI=1S/C8H7N3S/c12-8-10-5-7(11-8)6-2-1-3-9-4-6/h1-5H,(H2,10,11,12)
InChIKey
HIXVFTDHZZYSLX-UHFFFAOYSA-N
Compound name
4-pyridin-3-yl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

177.03607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.043346 134.2
[M+Na]+ 200.025288 144.9
[M-H]- 176.028794 135.3
[M+NH4]+ 195.069893 151.6
[M+K]+ 215.999228 138.9
[M+H-H2O]+ 160.033330 127.2
[M+HCOO]- 222.034271 149.8
[M+CH3COO]- 236.049921 146.8
[M+Na-2H]- 198.010736 137.6
[M]+ 177.03552142 132.0
[M]- 177.03661858 132.0
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