CID 3063033

2'-amino-3-((alpha-methylphenethyl)amino)propiophenone hydrochloride

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC(CC1=CC=CC=C1)NCCC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C18H22N2O/c1-14(13-15-7-3-2-4-8-15)20-12-11-18(21)16-9-5-6-10-17(16)19/h2-10,14,20H,11-13,19H2,1H3
InChIKey
KTUIYFSDPUCQLS-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-3-(1-phenylpropan-2-ylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 169.1
[M+Na]+ 305.16244 172.8
[M-H]- 281.16594 174.5
[M+NH4]+ 300.20704 183.5
[M+K]+ 321.13638 168.5
[M+H-H2O]+ 265.17048 160.5
[M+HCOO]- 327.17142 191.9
[M+CH3COO]- 341.18707 207.4
[M+Na-2H]- 303.14789 171.5
[M]+ 282.17267 167.0
[M]- 282.17377 167.0
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.