CID 3070010

2-propanone, 1-(benzyloxy)-3-(dimethylamino)-1,1-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C24H25NO2
SMILES
CN(C)CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C24H25NO2/c1-25(2)18-23(26)24(21-14-8-4-9-15-21,22-16-10-5-11-17-22)27-19-20-12-6-3-7-13-20/h3-17H,18-19H2,1-2H3
InChIKey
XXCXKKUJYALJKO-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,1-diphenyl-1-phenylmethoxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 188.9
[M+Na]+ 382.17776 191.7
[M-H]- 358.18126 198.5
[M+NH4]+ 377.22236 200.3
[M+K]+ 398.15170 187.8
[M+H-H2O]+ 342.18580 178.5
[M+HCOO]- 404.18674 210.4
[M+CH3COO]- 418.20239 220.4
[M+Na-2H]- 380.16321 193.2
[M]+ 359.18799 190.0
[M]- 359.18909 190.0
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.