CID 3082532

Para-hydroxymethadone

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C21H27NO2/c1-5-20(24)21(15-16(2)22(3)4,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,16,23H,5,15H2,1-4H3
InChIKey
MNOLUSMZZLSOKM-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

325.2042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.6
[M+Na]+ 348.19342 183.9
[M-H]- 324.19692 186.5
[M+NH4]+ 343.23802 193.9
[M+K]+ 364.16736 181.1
[M+H-H2O]+ 308.20146 172.5
[M+HCOO]- 370.20240 199.7
[M+CH3COO]- 384.21805 215.2
[M+Na-2H]- 346.17887 181.9
[M]+ 325.20365 181.7
[M]- 325.20475 181.7
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.