PubChemLite - (2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-6-{[(prop-2-en-1-yloxy)carbonyl]amino}hexanoic acid (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

C=CCOC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m0/s1

InChIKey

OJBNDXHENJDCBA-QFIPXVFZSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic 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	208.4
[M+Na]+	475.18395	209.7
[M-H]-	451.18745	210.8
[M+NH4]+	470.22855	218.7
[M+K]+	491.15789	206.5
[M+H-H2O]+	435.19199	200.2
[M+HCOO]-	497.19293	226.0
[M+CH3COO]-	511.20858	234.8
[M+Na-2H]-	473.16940	207.3
[M]+	452.19418	212.4
[M]-	452.19528	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

208.4

[M+Na]+

475.18395

209.7

[M-H]-

451.18745

210.8

[M+NH4]+

470.22855

218.7

[M+K]+

491.15789

206.5

[M+H-H2O]+

435.19199

200.2

[M+HCOO]-

497.19293

226.0

[M+CH3COO]-

511.20858

234.8

[M+Na-2H]-

473.16940

207.3

[M]+

452.19418

212.4

[M]-

452.19528

212.4

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

(2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-6-{[(prop-2-en-1-yloxy)carbonyl]amino}hexanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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