CID 3002997

3-[(2,6-difluorophenyl)methyl]-1h-imidazo[4,5-b]pyridine-2-thione

Structural Information

Molecular Formula
C13H9F2N3S
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=CC=N3)NC2=S)F
InChI
InChI=1S/C13H9F2N3S/c14-9-3-1-4-10(15)8(9)7-18-12-11(17-13(18)19)5-2-6-16-12/h1-6H,7H2,(H,17,19)
InChIKey
HKEZNXHCHZSCJP-UHFFFAOYSA-N
Compound name
3-[(2,6-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.04852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05580 155.9
[M+Na]+ 300.03774 170.0
[M-H]- 276.04124 157.5
[M+NH4]+ 295.08234 171.7
[M+K]+ 316.01168 161.7
[M+H-H2O]+ 260.04578 146.8
[M+HCOO]- 322.04672 170.5
[M+CH3COO]- 336.06237 168.1
[M+Na-2H]- 298.02319 158.2
[M]+ 277.04797 156.9
[M]- 277.04907 156.9
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.