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
6
Annotation Hits

51
References

2128
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 164.9
[M+Na]+ 301.16352 166.2
[M-H]- 277.16702 166.6
[M+NH4]+ 296.20812 176.1
[M+K]+ 317.13746 163.7
[M+H-H2O]+ 261.17156 154.7
[M+HCOO]- 323.17250 182.4
[M+CH3COO]- 337.18815 202.2
[M+Na-2H]- 299.14897 167.8
[M]+ 278.17375 159.1
[M]- 278.17485 159.1
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