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]+ 262.02004 153.1
[M+Na]+ 284.00198 167.2
[M-H]- 260.00548 157.0
[M+NH4]+ 279.04658 170.2
[M+K]+ 299.97592 158.9
[M+H-H2O]+ 244.01002 146.1
[M+HCOO]- 306.01096 165.4
[M+CH3COO]- 320.02661 166.0
[M+Na-2H]- 281.98743 157.0
[M]+ 261.01221 157.1
[M]- 261.01331 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.