CID 13282053

Phenol, 4-(1h-imidazo(4,5-b)pyridin-2-yl)-3-methoxy-, methanesulfonate (ester)

Structural Information

Molecular Formula
C14H13N3O4S
SMILES
COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C=CC=N3
InChI
InChI=1S/C14H13N3O4S/c1-20-12-8-9(21-22(2,18)19)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
InChIKey
DMKNGXHLCBNJKM-UHFFFAOYSA-N
Compound name
[4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxyphenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

319.06268 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06996 170.6
[M+Na]+ 342.05190 184.5
[M+NH4]+ 337.09650 176.6
[M+K]+ 358.02584 179.0
[M-H]- 318.05540 171.5
[M+Na-2H]- 340.03735 177.1
[M]+ 319.06213 173.3
[M]- 319.06323 173.3
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