CID 22768

2-(phenethylamino)-2-phenyl-acetophenone hydrochloride

Structural Information

Molecular Formula
C22H21NO
SMILES
C1=CC=C(C=C1)CCNC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)23-17-16-18-10-4-1-5-11-18/h1-15,21,23H,16-17H2
InChIKey
GNJJDOMUTKENFI-UHFFFAOYSA-N
Compound name
1,2-diphenyl-2-(2-phenylethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.16232 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16960 176.7
[M+Na]+ 338.15154 179.7
[M-H]- 314.15504 185.0
[M+NH4]+ 333.19614 189.3
[M+K]+ 354.12548 174.2
[M+H-H2O]+ 298.15958 166.8
[M+HCOO]- 360.16052 198.9
[M+CH3COO]- 374.17617 209.7
[M+Na-2H]- 336.13699 180.9
[M]+ 315.16177 174.4
[M]- 315.16287 174.4
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

patents stripe