CID 7021806

60285-95-2

Structural Information

Molecular Formula
C20H20N2O2
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C20H20N2O2/c1-24-19-13-16(12-15-9-5-6-10-17(15)19)22-20(23)18(21)11-14-7-3-2-4-8-14/h2-10,12-13,18H,11,21H2,1H3,(H,22,23)/t18-/m0/s1
InChIKey
NWIDLOZVSJGOFK-SFHVURJKSA-N
Compound name
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 175.8
[M+Na]+ 343.14169 180.7
[M-H]- 319.14519 182.3
[M+NH4]+ 338.18629 189.6
[M+K]+ 359.11563 176.2
[M+H-H2O]+ 303.14973 166.8
[M+HCOO]- 365.15067 197.8
[M+CH3COO]- 379.16632 213.8
[M+Na-2H]- 341.12714 179.9
[M]+ 320.15192 174.8
[M]- 320.15302 174.8
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.