CID 3078992

Quinoline, 2-((1h-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)-

Structural Information

Molecular Formula
C16H12N4OS
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CS(=O)C3=NC4=C(N3)C=CC=N4
InChI
InChI=1S/C16H12N4OS/c21-22(16-19-14-6-3-9-17-15(14)20-16)10-12-8-7-11-4-1-2-5-13(11)18-12/h1-9H,10H2,(H,17,19,20)
InChIKey
DVBJGGOFMSJLBY-UHFFFAOYSA-N
Compound name
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.07318 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08046 166.2
[M+Na]+ 331.06240 182.7
[M+NH4]+ 326.10700 174.5
[M+K]+ 347.03634 174.4
[M-H]- 307.06590 169.5
[M+Na-2H]- 329.04785 174.8
[M]+ 308.07263 170.1
[M]- 308.07373 170.1
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

patents stripe