CID 3070170

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

Structural Information

Molecular Formula
C18H27N5O
SMILES
C1CCN(CC1)CN2C3=C(N=CC=C3)N(C2=O)CN4CCCCC4
InChI
InChI=1S/C18H27N5O/c24-18-22(14-20-10-3-1-4-11-20)16-8-7-9-19-17(16)23(18)15-21-12-5-2-6-13-21/h7-9H,1-6,10-15H2
InChIKey
AWPVZVCBBYLFQG-UHFFFAOYSA-N
Compound name
1,3-bis(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.22156 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22884 182.2
[M+Na]+ 352.21078 187.3
[M-H]- 328.21428 184.5
[M+NH4]+ 347.25538 191.0
[M+K]+ 368.18472 180.9
[M+H-H2O]+ 312.21882 168.9
[M+HCOO]- 374.21976 193.1
[M+CH3COO]- 388.23541 189.4
[M+Na-2H]- 350.19623 182.3
[M]+ 329.22101 176.5
[M]- 329.22211 176.5
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