CID 9817104

Bgp-15 free base

Structural Information

Molecular Formula
C14H22N4O2
SMILES
C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\N)O
InChI
InChI=1S/C14H22N4O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17)
InChIKey
MVLOQULXIYSERZ-UHFFFAOYSA-N
Compound name
N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

50
References

2023
Patents

278.1743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 165.9
[M+Na]+ 301.16352 174.1
[M+NH4]+ 296.20812 171.8
[M+K]+ 317.13746 169.2
[M-H]- 277.16702 168.3
[M+Na-2H]- 299.14897 171.2
[M]+ 278.17375 167.2
[M]- 278.17485 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe