CID 3082532

P-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

3
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

literature stripe

Patent stripe

patents stripe