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

17
Patents

349.1314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 181.6
[M+Na]+ 372.12062 185.2
[M-H]- 348.12412 186.9
[M+NH4]+ 367.16522 193.5
[M+K]+ 388.09456 181.3
[M+H-H2O]+ 332.12866 172.6
[M+HCOO]- 394.12960 200.9
[M+CH3COO]- 408.14525 212.4
[M+Na-2H]- 370.10607 185.0
[M]+ 349.13085 181.8
[M]- 349.13195 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