PubChemLite - 218278-58-1 (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)

InChIKey

ZVHNNCSUTNWKFC-UHFFFAOYSA-N

Compound name

4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic 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]+	453.20201	205.7
[M+Na]+	475.18395	214.6
[M+NH4]+	470.22855	209.7
[M+K]+	491.15789	213.0
[M-H]-	451.18745	205.5
[M+Na-2H]-	473.16940	206.9
[M]+	452.19418	206.5
[M]-	452.19528	206.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

205.7

[M+Na]+

475.18395

214.6

[M+NH4]+

470.22855

209.7

[M+K]+

491.15789

213.0

[M-H]-

451.18745

205.5

[M+Na-2H]-

473.16940

206.9

[M]+

452.19418

206.5

[M]-

452.19528

206.5

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

218278-58-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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