CID 203472

4-piperidinol, 1-(3-amino-4-pyridyl)-4-phenyl-

Structural Information

Molecular Formula
C16H19N3O
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)C3=C(C=NC=C3)N
InChI
InChI=1S/C16H19N3O/c17-14-12-18-9-6-15(14)19-10-7-16(20,8-11-19)13-4-2-1-3-5-13/h1-6,9,12,20H,7-8,10-11,17H2
InChIKey
MYPKWIMVQPPRCV-UHFFFAOYSA-N
Compound name
1-(3-aminopyridin-4-yl)-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 164.2
[M+Na]+ 292.14202 169.9
[M-H]- 268.14552 168.9
[M+NH4]+ 287.18662 177.9
[M+K]+ 308.11596 164.5
[M+H-H2O]+ 252.15006 154.3
[M+HCOO]- 314.15100 181.5
[M+CH3COO]- 328.16665 173.9
[M+Na-2H]- 290.12747 169.4
[M]+ 269.15225 157.1
[M]- 269.15335 157.1
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.