CID 3070168

2h-imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C16H23N5O3
SMILES
C1COCCN1CN2C3=C(N=CC=C3)N(C2=O)CN4CCOCC4
InChI
InChI=1S/C16H23N5O3/c22-16-20(12-18-4-8-23-9-5-18)14-2-1-3-17-15(14)21(16)13-19-6-10-24-11-7-19/h1-3H,4-13H2
InChIKey
JNNGGLQEGIWWJI-UHFFFAOYSA-N
Compound name
1,3-bis(morpholin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.18008 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18736 179.0
[M+Na]+ 356.16930 192.2
[M+NH4]+ 351.21390 184.6
[M+K]+ 372.14324 188.4
[M-H]- 332.17280 183.9
[M+Na-2H]- 354.15475 183.4
[M]+ 333.17953 182.1
[M]- 333.18063 182.1
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.