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]+ 321.159746 175.8
[M+Na]+ 343.141688 180.7
[M-H]- 319.145194 182.3
[M+NH4]+ 338.186293 189.6
[M+K]+ 359.115628 176.2
[M+H-H2O]+ 303.149730 166.8
[M+HCOO]- 365.150671 197.8
[M+CH3COO]- 379.166321 213.8
[M+Na-2H]- 341.127136 179.9
[M]+ 320.15192142 174.8
[M]- 320.15301858 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.