PubChemLite - 5app-7ahp-l-lyscar (C23H48N6O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H48N6O5/c24-12-6-2-1-3-10-16-29(22(31)17-27-15-9-4-7-13-25)18-21(30)28-20(11-5-8-14-26)19-34-23(32)33/h20,27H,1-19,24-26H2,(H,28,30)(H,32,33)/t20-/m0/s1

InChIKey

VZNPWRXDQKIOBV-FQEVSTJZSA-N

Compound name

[(2S)-6-amino-2-[[2-[7-aminoheptyl-[2-(5-aminopentylamino)acetyl]amino]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]+	489.37590	231.9
[M+Na]+	511.35784	246.1
[M-H]-	487.36134	238.1
[M+NH4]+	506.40244	230.9
[M+K]+	527.33178	236.5
[M+H-H2O]+	471.36588	228.1
[M+HCOO]-	533.36682	222.1
[M+CH3COO]-	547.38247	257.4
[M+Na-2H]-	509.34329	220.7
[M]+	488.36807	215.6
[M]-	488.36917	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.37590

231.9

[M+Na]+

511.35784

246.1

[M-H]-

487.36134

238.1

[M+NH4]+

506.40244

230.9

[M+K]+

527.33178

236.5

[M+H-H2O]+

471.36588

228.1

[M+HCOO]-

533.36682

222.1

[M+CH3COO]-

547.38247

257.4

[M+Na-2H]-

509.34329

220.7

[M]+

488.36807

215.6

[M]-

488.36917

215.6

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

5app-7ahp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe