CID 62938165

4-(1,3-thiazol-2-ylsulfanyl)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C9H5N3S2
SMILES
C1=CN=C(C=C1SC2=NC=CS2)C#N
InChI
InChI=1S/C9H5N3S2/c10-6-7-5-8(1-2-11-7)14-9-12-3-4-13-9/h1-5H
InChIKey
OJMSLCGIJRDJPJ-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-2-ylsulfanyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.9925 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99978 149.2
[M+Na]+ 241.98172 162.3
[M-H]- 217.98522 153.6
[M+NH4]+ 237.02632 166.1
[M+K]+ 257.95566 157.4
[M+H-H2O]+ 201.98976 135.8
[M+HCOO]- 263.99070 159.8
[M+CH3COO]- 278.00635 160.8
[M+Na-2H]- 239.96717 150.4
[M]+ 218.99195 146.8
[M]- 218.99305 146.8
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

No patent data available for this compound.