PubChemLite - 2680528-51-0 (C24H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NCC(CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

InChI

InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-13-15(21(27)28)12-25-22(29)31-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)

InChIKey

QYBPFVRIUVYWLZ-UHFFFAOYSA-N

Compound name

2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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]+	441.20201	205.2
[M+Na]+	463.18395	207.2
[M-H]-	439.18745	208.2
[M+NH4]+	458.22855	216.4
[M+K]+	479.15789	205.5
[M+H-H2O]+	423.19199	198.1
[M+HCOO]-	485.19293	221.4
[M+CH3COO]-	499.20858	232.3
[M+Na-2H]-	461.16940	206.0
[M]+	440.19418	209.2
[M]-	440.19528	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.20201

205.2

[M+Na]+

463.18395

207.2

[M-H]-

439.18745

208.2

[M+NH4]+

458.22855

216.4

[M+K]+

479.15789

205.5

[M+H-H2O]+

423.19199

198.1

[M+HCOO]-

485.19293

221.4

[M+CH3COO]-

499.20858

232.3

[M+Na-2H]-

461.16940

206.0

[M]+

440.19418

209.2

[M]-

440.19528

209.2

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

2680528-51-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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