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]+ 283.180496 169.8
[M+Na]+ 305.162438 172.3
[M-H]- 281.165944 174.9
[M+NH4]+ 300.207043 183.8
[M+K]+ 321.136378 168.5
[M+H-H2O]+ 265.170480 161.1
[M+HCOO]- 327.171421 191.6
[M+CH3COO]- 341.187071 206.4
[M+Na-2H]- 303.147886 171.7
[M]+ 282.17267142 166.5
[M]- 282.17376858 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.