CID 7018899

143218-10-4

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey
XBRPIBMAJOTVHG-LJQANCHMSA-N
Compound name
(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

349.1314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.138676 181.6
[M+Na]+ 372.120618 185.2
[M-H]- 348.124124 186.9
[M+NH4]+ 367.165223 193.5
[M+K]+ 388.094558 181.3
[M+H-H2O]+ 332.128660 172.6
[M+HCOO]- 394.129601 200.9
[M+CH3COO]- 408.145251 212.4
[M+Na-2H]- 370.106066 185.0
[M]+ 349.13085142 181.8
[M]- 349.13194858 181.8
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

patents stripe