CID 76055

Brn 0818696

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CCN(CC)CCN1C=NC2=C1N=CC(=C2)C(=O)OC
InChI
InChI=1S/C14H20N4O2/c1-4-17(5-2)6-7-18-10-16-12-8-11(14(19)20-3)9-15-13(12)18/h8-10H,4-7H2,1-3H3
InChIKey
MTRVCBHDVRYUTK-UHFFFAOYSA-N
Compound name
methyl 3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 164.8
[M+Na]+ 299.14785 173.4
[M-H]- 275.15135 167.1
[M+NH4]+ 294.19245 180.5
[M+K]+ 315.12179 171.3
[M+H-H2O]+ 259.15589 155.6
[M+HCOO]- 321.15683 187.0
[M+CH3COO]- 335.17248 205.5
[M+Na-2H]- 297.13330 169.1
[M]+ 276.15808 171.8
[M]- 276.15918 171.8
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

No patent data available for this compound.