CID 201596

5-dimethylamino-3,3-diphenylpentan-2-one hydrochloride

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO/c1-16(21)19(14-15-20(2)3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-15H2,1-3H3
InChIKey
ZUVZZEPDCCMCJG-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-3,3-diphenylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.8
[M+Na]+ 304.16720 172.9
[M-H]- 280.17070 176.0
[M+NH4]+ 299.21180 184.4
[M+K]+ 320.14114 170.1
[M+H-H2O]+ 264.17524 160.6
[M+HCOO]- 326.17618 190.8
[M+CH3COO]- 340.19183 207.7
[M+Na-2H]- 302.15265 173.3
[M]+ 281.17743 169.8
[M]- 281.17853 169.8
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.