CID 169501981

P-hydroxynormethadol

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C20H27NO2/c1-4-19(23)20(14-15(2)21-3,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h5-13,15,19,21-23H,4,14H2,1-3H3
InChIKey
LUUYPUMHJLXSPD-UHFFFAOYSA-N
Compound name
4-[5-hydroxy-2-(methylamino)-4-phenylheptan-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 177.8
[M+Na]+ 336.19342 180.7
[M-H]- 312.19692 181.0
[M+NH4]+ 331.23802 190.3
[M+K]+ 352.16736 176.4
[M+H-H2O]+ 296.20146 170.3
[M+HCOO]- 358.20240 195.0
[M+CH3COO]- 372.21805 207.3
[M+Na-2H]- 334.17887 179.8
[M]+ 313.20365 176.1
[M]- 313.20475 176.1
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.