CID 3003005

Gp101

Structural Information

Molecular Formula
C14H11F2N3S
SMILES
C1=CC(=C(C(=C1)F)CCN2C3=C(C=CC=N3)NC2=S)F
InChI
InChI=1S/C14H11F2N3S/c15-10-3-1-4-11(16)9(10)6-8-19-13-12(18-14(19)20)5-2-7-17-13/h1-5,7H,6,8H2,(H,18,20)
InChIKey
OXZJZPBUENMYIF-UHFFFAOYSA-N
Compound name
3-[2-(2,6-difluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

291.06418 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07146 160.3
[M+Na]+ 314.05340 173.9
[M-H]- 290.05690 161.7
[M+NH4]+ 309.09800 175.5
[M+K]+ 330.02734 165.4
[M+H-H2O]+ 274.06144 151.0
[M+HCOO]- 336.06238 174.6
[M+CH3COO]- 350.07803 172.0
[M+Na-2H]- 312.03885 162.1
[M]+ 291.06363 161.7
[M]- 291.06473 161.7
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

patents stripe