CID 44794

7-dimethylamino-4,4-diphenyl-3-heptanone hydrochloride

Structural Information

Molecular Formula
C21H27NO
SMILES
CCC(=O)C(CCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO/c1-4-20(23)21(16-11-17-22(2)3,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,4,11,16-17H2,1-3H3
InChIKey
WDAZWNUACIUHAO-UHFFFAOYSA-N
Compound name
7-(dimethylamino)-4,4-diphenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.20926 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.7
[M+Na]+ 332.19848 191.1
[M+NH4]+ 327.24308 186.8
[M+K]+ 348.17242 183.0
[M-H]- 308.20198 183.6
[M+Na-2H]- 330.18393 187.6
[M]+ 309.20871 182.0
[M]- 309.20981 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe