CID 85986645

Diphenylmethoxyacetic acid-glycine

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)NCC(=O)O

InChI

InChI=1S/C17H17NO4/c19-15(18-11-16(20)21)12-22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,18,19)(H,20,21)

InChIKey

BENKQEQEDUMIOS-UHFFFAOYSA-N

Compound name

2-[(2-benzhydryloxyacetyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 299.11575 Da
Monoisotopic Mass: 2.2
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]+	300.123026	169.1
[M+Na]+	322.104968	172.4
[M-H]-	298.108474	173.6
[M+NH4]+	317.149573	182.0
[M+K]+	338.078908	169.6
[M+H-H2O]+	282.113010	160.6
[M+HCOO]-	344.113951	190.1
[M+CH3COO]-	358.129601	202.0
[M+Na-2H]-	320.090416	171.8
[M]+	299.11520142	168.9
[M]-	299.11629858	168.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.