PubChemLite - 1589084-56-9 (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NC1(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

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

InChIKey

GBDRLSCSVPGBDC-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-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	204.8
[M+Na]+	475.18395	211.2
[M+NH4]+	470.22855	210.3
[M+K]+	491.15789	210.0
[M-H]-	451.18745	204.7
[M+Na-2H]-	473.16940	207.1
[M]+	452.19418	205.3
[M]-	452.19528	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

204.8

[M+Na]+

475.18395

211.2

[M+NH4]+

470.22855

210.3

[M+K]+

491.15789

210.0

[M-H]-

451.18745

204.7

[M+Na-2H]-

473.16940

207.1

[M]+

452.19418

205.3

[M]-

452.19528

205.3

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

1589084-56-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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