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 173.0
[M+Na]+ 318.18282 176.3
[M-H]- 294.18632 180.0
[M+NH4]+ 313.22742 187.9
[M+K]+ 334.15676 173.8
[M+H-H2O]+ 278.19086 164.7
[M+HCOO]- 340.19180 193.6
[M+CH3COO]- 354.20745 211.5
[M+Na-2H]- 316.16827 175.8
[M]+ 295.19305 173.7
[M]- 295.19415 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