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

43
Patents

177.03607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 134.2
[M+Na]+ 200.02529 144.9
[M-H]- 176.02879 135.3
[M+NH4]+ 195.06989 151.6
[M+K]+ 215.99923 138.9
[M+H-H2O]+ 160.03333 127.2
[M+HCOO]- 222.03427 149.8
[M+CH3COO]- 236.04992 146.8
[M+Na-2H]- 198.01074 137.6
[M]+ 177.03552 132.0
[M]- 177.03662 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