2219419-09-5 (C26H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NC1CN(CCC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C26H30N2O6/c1-26(2,3)34-24(31)27-22-14-28(13-12-20(22)23(29)30)25(32)33-15-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-11,20-22H,12-15H2,1-3H3,(H,27,31)(H,29,30)

InChIKey

KHADWPYDUWQNFN-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]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]+	467.217676	211.0
[M+Na]+	489.199618	213.1
[M-H]-	465.203124	215.6
[M+NH4]+	484.244223	220.0
[M+K]+	505.173558	210.5
[M+H-H2O]+	449.207660	202.8
[M+HCOO]-	511.208601	222.1
[M+CH3COO]-	525.224251	234.8
[M+Na-2H]-	487.185066	209.6
[M]+	466.20985142	211.4
[M]-	466.21094858	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.217676

211.0

[M+Na]+

489.199618

213.1

[M-H]-

465.203124

215.6

[M+NH4]+

484.244223

220.0

[M+K]+

505.173558

210.5

[M+H-H2O]+

449.207660

202.8

[M+HCOO]-

511.208601

222.1

[M+CH3COO]-

525.224251

234.8

[M+Na-2H]-

487.185066

209.6

[M]+

466.20985142

211.4

[M]-

466.21094858

211.4

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

2219419-09-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe