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]+ 308.20088 175.5
[M+Na]+ 330.18282 179.6
[M-H]- 306.18632 185.4
[M+NH4]+ 325.22742 191.8
[M+K]+ 346.15676 175.6
[M+H-H2O]+ 290.19086 166.0
[M+HCOO]- 352.19180 196.4
[M+CH3COO]- 366.20745 211.2
[M+Na-2H]- 328.16827 178.3
[M]+ 307.19305 172.2
[M]- 307.19415 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.