PubChemLite - L-lyscar-7ahp-l-lyscar (C23H48N6O6)

Structural Information

Molecular Formula

SMILES

C(CCCN)CCCN(CC(=O)N[C@@H](CCCCN)COC(=O)O)C(=O)OC[C@H](CCCCN)N

InChI

InChI=1S/C23H48N6O6/c24-12-6-2-1-3-9-15-29(22(31)34-17-19(27)10-4-7-13-25)16-21(30)28-20(11-5-8-14-26)18-35-23(32)33/h19-20H,1-18,24-27H2,(H,28,30)(H,32,33)/t19-,20-/m0/s1

InChIKey

ZXORKLUZHVTVDE-PMACEKPBSA-N

Compound name

[(2S)-6-amino-2-[[2-[7-aminoheptyl-[(2S)-2,6-diaminohexoxy]carbonylamino]acetyl]amino]hexyl] hydrogen carbonate

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]+	505.37081	225.7
[M+Na]+	527.35275	239.9
[M-H]-	503.35625	233.5
[M+NH4]+	522.39735	226.1
[M+K]+	543.32669	230.5
[M+H-H2O]+	487.36079	222.3
[M+HCOO]-	549.36173	213.3
[M+CH3COO]-	563.37738	259.4
[M+Na-2H]-	525.33820	215.3
[M]+	504.36298	208.9
[M]-	504.36408	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.37081

225.7

[M+Na]+

527.35275

239.9

[M-H]-

503.35625

233.5

[M+NH4]+

522.39735

226.1

[M+K]+

543.32669

230.5

[M+H-H2O]+

487.36079

222.3

[M+HCOO]-

549.36173

213.3

[M+CH3COO]-

563.37738

259.4

[M+Na-2H]-

525.33820

215.3

[M]+

504.36298

208.9

[M]-

504.36408

208.9

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

L-lyscar-7ahp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe