CID 24839157

Brn 5045179

Structural Information

Molecular Formula
C12H8ClN3S
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=N3)Cl)NC2=S
InChI
InChI=1S/C12H8ClN3S/c13-10-7-6-9-11(15-10)16(12(17)14-9)8-4-2-1-3-5-8/h1-7H,(H,14,17)
InChIKey
ZFCVYMWKSCMDDV-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1H-imidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.01276 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.020036 153.1
[M+Na]+ 284.001978 167.2
[M-H]- 260.005484 157.0
[M+NH4]+ 279.046583 170.2
[M+K]+ 299.975918 158.9
[M+H-H2O]+ 244.010020 146.1
[M+HCOO]- 306.010961 165.4
[M+CH3COO]- 320.026611 166.0
[M+Na-2H]- 281.987426 157.0
[M]+ 261.01221142 157.1
[M]- 261.01330858 157.1
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.