CID 3076964

3h-imidazo(4,5-b)pyridine, 3-(2-ethoxyethyl)-2-(3-(4-morpholinyl)propyl)-, (e)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CCOCCN1C(=NC2=C1N=CC=C2)CCCN3CCOCC3
InChI
InChI=1S/C17H26N4O2/c1-2-22-14-11-21-16(19-15-5-3-7-18-17(15)21)6-4-8-20-9-12-23-13-10-20/h3,5,7H,2,4,6,8-14H2,1H3
InChIKey
LCNRIMTZKWOBRG-UHFFFAOYSA-N
Compound name
4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.20557 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.212846 177.6
[M+Na]+ 341.194788 183.9
[M-H]- 317.198294 179.3
[M+NH4]+ 336.239393 187.7
[M+K]+ 357.168728 180.3
[M+H-H2O]+ 301.202830 166.2
[M+HCOO]- 363.203771 192.6
[M+CH3COO]- 377.219421 186.6
[M+Na-2H]- 339.180236 180.8
[M]+ 318.20502142 180.3
[M]- 318.20611858 180.3
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