CID 156270

74068-43-2

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]+ 314.17508 175.0
[M+Na]+ 336.15702 178.5
[M-H]- 312.16052 178.5
[M+NH4]+ 331.20162 185.4
[M+K]+ 352.13096 173.0
[M+H-H2O]+ 296.16506 165.9
[M+HCOO]- 358.16600 188.4
[M+CH3COO]- 372.18165 200.0
[M+Na-2H]- 334.14247 175.3
[M]+ 313.16725 168.7
[M]- 313.16835 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.