CID 5489204

N-l-phenylalanyl-l-2-amino-1-phenylpropane

Structural Information

Molecular Formula
C18H22N2O
SMILES
C[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C18H22N2O/c1-14(12-15-8-4-2-5-9-15)20-18(21)17(19)13-16-10-6-3-7-11-16/h2-11,14,17H,12-13,19H2,1H3,(H,20,21)/t14-,17+/m1/s1
InChIKey
XKDQOTRQIZMYCY-PBHICJAKSA-N
Compound name
(2S)-2-amino-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 169.8
[M+Na]+ 305.16244 172.3
[M-H]- 281.16594 174.9
[M+NH4]+ 300.20704 183.8
[M+K]+ 321.13638 168.5
[M+H-H2O]+ 265.17048 161.1
[M+HCOO]- 327.17142 191.6
[M+CH3COO]- 341.18707 206.4
[M+Na-2H]- 303.14789 171.7
[M]+ 282.17267 166.5
[M]- 282.17377 166.5
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

No patent data available for this compound.