CID 77675

4057-57-2

Structural Information

Molecular Formula
C13H18N4O2
SMILES
CCN(CC)CCN1C=NC2=C1N=CC(=C2)C(=O)O
InChI
InChI=1S/C13H18N4O2/c1-3-16(4-2)5-6-17-9-15-11-7-10(13(18)19)8-14-12(11)17/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKey
QEPDGBSLJDHUIR-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]imidazo[4,5-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14297 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15025 160.3
[M+Na]+ 285.13219 168.8
[M-H]- 261.13569 161.3
[M+NH4]+ 280.17679 175.7
[M+K]+ 301.10613 166.1
[M+H-H2O]+ 245.14023 151.6
[M+HCOO]- 307.14117 181.3
[M+CH3COO]- 321.15682 200.7
[M+Na-2H]- 283.11764 164.7
[M]+ 262.14242 165.1
[M]- 262.14352 165.1
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

No patent data available for this compound.