CID 13282058

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.06268 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06996 171.3
[M+Na]+ 342.05190 183.3
[M-H]- 318.05540 175.4
[M+NH4]+ 337.09650 184.7
[M+K]+ 358.02584 178.3
[M+H-H2O]+ 302.05994 163.7
[M+HCOO]- 364.06088 186.9
[M+CH3COO]- 378.07653 199.5
[M+Na-2H]- 340.03735 176.3
[M]+ 319.06213 178.3
[M]- 319.06323 178.3
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