CID 3002998

Gp38

Structural Information

Molecular Formula
C13H8ClF2N3S
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=CC(=N3)Cl)NC2=S)F
InChI
InChI=1S/C13H8ClF2N3S/c14-11-5-4-10-12(18-11)19(13(20)17-10)6-7-8(15)2-1-3-9(7)16/h1-5H,6H2,(H,17,20)
InChIKey
NKGHREOQWXVNSP-UHFFFAOYSA-N
Compound name
5-chloro-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

128
Patents

311.00955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01683 161.7
[M+Na]+ 333.99877 177.0
[M-H]- 310.00227 163.3
[M+NH4]+ 329.04337 177.1
[M+K]+ 349.97271 167.5
[M+H-H2O]+ 294.00681 153.1
[M+HCOO]- 356.00775 171.5
[M+CH3COO]- 370.02340 173.7
[M+Na-2H]- 331.98422 162.7
[M]+ 311.00900 165.0
[M]- 311.01010 165.0
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