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]+	481.233316	214.6
[M+Na]+	503.215258	215.5
[M-H]-	479.218764	220.0
[M+NH4]+	498.259863	223.3
[M+K]+	519.189198	213.9
[M+H-H2O]+	463.223300	206.0
[M+HCOO]-	525.224241	225.9
[M+CH3COO]-	539.239891	239.3
[M+Na-2H]-	501.200706	212.7
[M]+	480.22549142	216.1
[M]-	480.22658858	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.233316

214.6

[M+Na]+

503.215258

215.5

[M-H]-

479.218764

220.0

[M+NH4]+

498.259863

223.3

[M+K]+

519.189198

213.9

[M+H-H2O]+

463.223300

206.0

[M+HCOO]-

525.224241

225.9

[M+CH3COO]-

539.239891

239.3

[M+Na-2H]-

501.200706

212.7

[M]+

480.22549142

216.1

[M]-

480.22658858

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

Literature stripe

Patent stripe