CID 7018899

Z-d-2-nal-oh

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 182.5
[M+Na]+ 372.12062 194.6
[M+NH4]+ 367.16522 189.1
[M+K]+ 388.09456 187.9
[M-H]- 348.12412 186.2
[M+Na-2H]- 370.10607 189.6
[M]+ 349.13085 185.0
[M]- 349.13195 185.0
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