CID 22768

Acetophenone, 2-(phenethylamino)-2-phenyl-, 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]+ 316.169596 176.7
[M+Na]+ 338.151538 179.7
[M-H]- 314.155044 185.0
[M+NH4]+ 333.196143 189.3
[M+K]+ 354.125478 174.2
[M+H-H2O]+ 298.159580 166.8
[M+HCOO]- 360.160521 198.9
[M+CH3COO]- 374.176171 209.7
[M+Na-2H]- 336.136986 180.9
[M]+ 315.16177142 174.4
[M]- 315.16286858 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