CID 3049981

2-((dimethylamino)methyl)-4,4-diphenylcyclohexanone hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
CN(C)CC1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO/c1-22(2)16-17-15-21(14-13-20(17)23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKey
GQDUNPWTIXFHRG-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-4,4-diphenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 175.5
[M+Na]+ 330.182818 179.6
[M-H]- 306.186324 185.4
[M+NH4]+ 325.227423 191.8
[M+K]+ 346.156758 175.6
[M+H-H2O]+ 290.190860 166.0
[M+HCOO]- 352.191801 196.4
[M+CH3COO]- 366.207451 211.2
[M+Na-2H]- 328.168266 178.3
[M]+ 307.19305142 172.2
[M]- 307.19414858 172.2
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.