CID 49621

2-hexanone, 5-(dimethylamino)-3,3-diphenyl-, 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]+ 296.200876 173.0
[M+Na]+ 318.182818 176.3
[M-H]- 294.186324 180.0
[M+NH4]+ 313.227423 187.9
[M+K]+ 334.156758 173.8
[M+H-H2O]+ 278.190860 164.7
[M+HCOO]- 340.191801 193.6
[M+CH3COO]- 354.207451 211.5
[M+Na-2H]- 316.168266 175.8
[M]+ 295.19305142 173.7
[M]- 295.19414858 173.7
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