PubChemLite - Rink amide linker (C32H29NO7)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC

InChI

InChI=1S/C32H29NO7/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(34)35)33-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H,33,36)(H,34,35)

InChIKey

UPMGJEMWPQOACJ-UHFFFAOYSA-N

Compound name

2-[4-[(2,4-dimethoxyphenyl)-(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid

Related CIDs

2D Structure

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]+	540.20168	231.3
[M+Na]+	562.18362	243.6
[M+NH4]+	557.22822	236.3
[M+K]+	578.15756	238.2
[M-H]-	538.18712	236.7
[M+Na-2H]-	560.16907	236.8
[M]+	539.19385	234.4
[M]-	539.19495	234.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.20168

231.3

[M+Na]+

562.18362

243.6

[M+NH4]+

557.22822

236.3

[M+K]+

578.15756

238.2

[M-H]-

538.18712

236.7

[M+Na-2H]-

560.16907

236.8

[M]+

539.19385

234.4

[M]-

539.19495

234.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Rink amide linker

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe