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]+ 263.150246 160.3
[M+Na]+ 285.132188 168.8
[M-H]- 261.135694 161.3
[M+NH4]+ 280.176793 175.7
[M+K]+ 301.106128 166.1
[M+H-H2O]+ 245.140230 151.6
[M+HCOO]- 307.141171 181.3
[M+CH3COO]- 321.156821 200.7
[M+Na-2H]- 283.117636 164.7
[M]+ 262.14242142 165.1
[M]- 262.14351858 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.