CID 156270

M.g. 6604

Structural Information

Molecular Formula
C19H23NO3
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(C3=CC(=CC(=C3)O)O)O
InChI
InChI=1S/C19H23NO3/c21-17-10-16(11-18(22)12-17)19(23)13-20-8-6-15(7-9-20)14-4-2-1-3-5-14/h1-5,10-12,15,19,21-23H,6-9,13H2
InChIKey
YJBXEDXZRSSLCH-UHFFFAOYSA-N
Compound name
5-[1-hydroxy-2-(4-phenylpiperidin-1-yl)ethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 175.0
[M+Na]+ 336.157018 178.5
[M-H]- 312.160524 178.5
[M+NH4]+ 331.201623 185.4
[M+K]+ 352.130958 173.0
[M+H-H2O]+ 296.165060 165.9
[M+HCOO]- 358.166001 188.4
[M+CH3COO]- 372.181651 200.0
[M+Na-2H]- 334.142466 175.3
[M]+ 313.16725142 168.7
[M]- 313.16834858 168.7
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.