PubChemLite - 1027337-09-2 (C28H34N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NC(CC1CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C28H34N2O6/c1-28(2,3)36-26(33)29-24(25(31)32)16-18-12-14-30(15-13-18)27(34)35-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23-24H,12-17H2,1-3H3,(H,29,33)(H,31,32)

InChIKey

CATGHIRNIHAKHV-UHFFFAOYSA-N

Compound name

3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-2-[(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]+	495.24898	218.6
[M+Na]+	517.23092	218.6
[M-H]-	493.23442	222.4
[M+NH4]+	512.27552	226.0
[M+K]+	533.20486	216.2
[M+H-H2O]+	477.23896	210.2
[M+HCOO]-	539.23990	228.0
[M+CH3COO]-	553.25555	240.1
[M+Na-2H]-	515.21637	215.9
[M]+	494.24115	218.7
[M]-	494.24225	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.24898

218.6

[M+Na]+

517.23092

218.6

[M-H]-

493.23442

222.4

[M+NH4]+

512.27552

226.0

[M+K]+

533.20486

216.2

[M+H-H2O]+

477.23896

210.2

[M+HCOO]-

539.23990

228.0

[M+CH3COO]-

553.25555

240.1

[M+Na-2H]-

515.21637

215.9

[M]+

494.24115

218.7

[M]-

494.24225

218.7

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

1027337-09-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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