CID 7010238

500770-68-3

Structural Information

Molecular Formula
C18H21NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(11-16(20)21)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m0/s1
InChIKey
YDSAGJMVVUBPOK-HNNXBMFYSA-N
Compound name
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 173.5
[M+Na]+ 338.13628 183.0
[M+NH4]+ 333.18088 179.3
[M+K]+ 354.11022 178.9
[M-H]- 314.13978 173.8
[M+Na-2H]- 336.12173 177.3
[M]+ 315.14651 174.6
[M]- 315.14761 174.6
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.