PubChemLite - 269078-80-0 (C27H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H32N2O6/c1-27(2,3)35-25(32)28-14-12-18(13-15-28)29(16-24(30)31)26(33)34-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23H,12-17H2,1-3H3,(H,30,31)

InChIKey

VDSAYWOINWZBBH-UHFFFAOYSA-N

Compound name

2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic 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]+	481.23332	211.8
[M+Na]+	503.21526	219.0
[M+NH4]+	498.25986	216.0
[M+K]+	519.18920	217.5
[M-H]-	479.21876	212.7
[M+Na-2H]-	501.20071	213.3
[M]+	480.22549	212.6
[M]-	480.22659	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.23332

211.8

[M+Na]+

503.21526

219.0

[M+NH4]+

498.25986

216.0

[M+K]+

519.18920

217.5

[M-H]-

479.21876

212.7

[M+Na-2H]-

501.20071

213.3

[M]+

480.22549

212.6

[M]-

480.22659

212.6

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

269078-80-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe