CID 49621

5-(dimethylamino)-3,3-diphenyl-2-hexanone hydrobromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 173.7
[M+Na]+ 318.18282 185.9
[M+NH4]+ 313.22742 181.8
[M+K]+ 334.15676 179.0
[M-H]- 294.18632 178.4
[M+Na-2H]- 316.16827 182.5
[M]+ 295.19305 176.9
[M]- 295.19415 176.9
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

patents stripe