CID 10090

Normethadone

Structural Information

Molecular Formula
C20H25NO
SMILES
CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3
InChIKey
WCJFBSYALHQBSK-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-4,4-diphenylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

8128
Patents

295.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 174.2
[M+Na]+ 318.18282 186.8
[M+NH4]+ 313.22742 182.4
[M+K]+ 334.15676 179.0
[M-H]- 294.18632 179.1
[M+Na-2H]- 316.16827 183.4
[M]+ 295.19305 177.5
[M]- 295.19415 177.5
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