CID 14837162

119349-24-5

Structural Information

Molecular Formula

C₂₀H₂₃NO₅

SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-17(18(22)23)13-14-8-7-11-16(12-14)25-15-9-5-4-6-10-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)

InChIKey

FNVJDYQQJDPXDX-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenoxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 357.15762 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.164896	184.7
[M+Na]+	380.146838	187.9
[M-H]-	356.150344	189.4
[M+NH4]+	375.191443	195.7
[M+K]+	396.120778	186.1
[M+H-H2O]+	340.154880	176.4
[M+HCOO]-	402.155821	203.4
[M+CH3COO]-	416.171471	213.4
[M+Na-2H]-	378.132286	186.4
[M]+	357.15707142	186.8
[M]-	357.15816858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe