CID 3003004

Gp100

Structural Information

Molecular Formula
C14H10ClF2N3S
SMILES
C1=CC(=C(C(=C1)F)CCN2C3=C(C=CC(=N3)Cl)NC2=S)F
InChI
InChI=1S/C14H10ClF2N3S/c15-12-5-4-11-13(19-12)20(14(21)18-11)7-6-8-9(16)2-1-3-10(8)17/h1-5H,6-7H2,(H,18,21)
InChIKey
RTZACTFZGJNCLF-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.0252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03248 168.1
[M+Na]+ 348.01442 183.1
[M+NH4]+ 343.05902 175.2
[M+K]+ 363.98836 174.4
[M-H]- 324.01792 168.6
[M+Na-2H]- 345.99987 174.2
[M]+ 325.02465 171.1
[M]- 325.02575 171.1
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.