CID 79422

1-propanone, 3-[methyl(phenylmethyl)amino]-1-phenyl-, hydrochloride (1:1)

Structural Information

Molecular Formula
C17H19NO
SMILES
CN(CCC(=O)C1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKey
LNCWFHRJTAQGBG-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

253.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 160.4
[M+Na]+ 276.135888 164.9
[M-H]- 252.139394 167.6
[M+NH4]+ 271.180493 177.1
[M+K]+ 292.109828 162.0
[M+H-H2O]+ 236.143930 151.9
[M+HCOO]- 298.144871 184.7
[M+CH3COO]- 312.160521 201.4
[M+Na-2H]- 274.121336 165.2
[M]+ 253.14612142 161.1
[M]- 253.14721858 161.1
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