CID 91379

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

Structural Information

Molecular Formula
C17H19NO
SMILES
CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKey
GJUPMIOTRBVKSA-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

253.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 160.5
[M+Na]+ 276.135888 164.8
[M-H]- 252.139394 167.8
[M+NH4]+ 271.180493 177.1
[M+K]+ 292.109828 162.4
[M+H-H2O]+ 236.143930 152.2
[M+HCOO]- 298.144871 183.8
[M+CH3COO]- 312.160521 202.3
[M+Na-2H]- 274.121336 164.1
[M]+ 253.14612142 160.6
[M]- 253.14721858 160.6
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