CID 3003000

Gp55

Structural Information

Molecular Formula
C14H11F2N3OS
SMILES
COC1=NC2=C(C=C1)NC(=S)N2CC3=C(C=CC=C3F)F
InChI
InChI=1S/C14H11F2N3OS/c1-20-12-6-5-11-13(18-12)19(14(21)17-11)7-8-9(15)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,17,21)
InChIKey
RIZCOYNHVBFQIO-UHFFFAOYSA-N
Compound name
3-[(2,6-difluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

307.05908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06636 164.4
[M+Na]+ 330.04830 178.6
[M-H]- 306.05180 166.1
[M+NH4]+ 325.09290 179.1
[M+K]+ 346.02224 170.6
[M+H-H2O]+ 290.05634 155.1
[M+HCOO]- 352.05728 178.8
[M+CH3COO]- 366.07293 176.2
[M+Na-2H]- 328.03375 165.5
[M]+ 307.05853 167.5
[M]- 307.05963 167.5
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