PubChemLite - 2138514-92-6 (C27H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

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

InChIKey

YJNNGJBCOWKWCQ-UHFFFAOYSA-N

Compound name

2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-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	214.6
[M+Na]+	503.21526	215.5
[M-H]-	479.21876	220.0
[M+NH4]+	498.25986	223.3
[M+K]+	519.18920	213.9
[M+H-H2O]+	463.22330	206.0
[M+HCOO]-	525.22424	225.9
[M+CH3COO]-	539.23989	239.3
[M+Na-2H]-	501.20071	212.7
[M]+	480.22549	216.1
[M]-	480.22659	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.23332

214.6

[M+Na]+

503.21526

215.5

[M-H]-

479.21876

220.0

[M+NH4]+

498.25986

223.3

[M+K]+

519.18920

213.9

[M+H-H2O]+

463.22330

206.0

[M+HCOO]-

525.22424

225.9

[M+CH3COO]-

539.23989

239.3

[M+Na-2H]-

501.20071

212.7

[M]+

480.22549

216.1

[M]-

480.22659

216.1

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

2138514-92-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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