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-amino-4-pyridinyl)-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]+ 270.160076 164.2
[M+Na]+ 292.142018 169.9
[M-H]- 268.145524 168.9
[M+NH4]+ 287.186623 177.9
[M+K]+ 308.115958 164.5
[M+H-H2O]+ 252.150060 154.3
[M+HCOO]- 314.151001 181.5
[M+CH3COO]- 328.166651 173.9
[M+Na-2H]- 290.127466 169.4
[M]+ 269.15225142 157.1
[M]- 269.15334858 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.