2219370-55-3 (C27H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NCC1CC(CCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

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

InChIKey

CFAQJBOBBOKONI-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic 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	215.4
[M+Na]+	503.215258	217.1
[M-H]-	479.218764	219.8
[M+NH4]+	498.259863	223.8
[M+K]+	519.189198	214.2
[M+H-H2O]+	463.223300	207.1
[M+HCOO]-	525.224241	226.1
[M+CH3COO]-	539.239891	237.7
[M+Na-2H]-	501.200706	213.6
[M]+	480.22549142	216.2
[M]-	480.22658858	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.233316

215.4

[M+Na]+

503.215258

217.1

[M-H]-

479.218764

219.8

[M+NH4]+

498.259863

223.8

[M+K]+

519.189198

214.2

[M+H-H2O]+

463.223300

207.1

[M+HCOO]-

525.224241

226.1

[M+CH3COO]-

539.239891

237.7

[M+Na-2H]-

501.200706

213.6

[M]+

480.22549142

216.2

[M]-

480.22658858

216.2

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

2219370-55-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe