PubChemLite - 5app-l-lys-d-lyscar (C20H42N6O5)

Structural Information

Molecular Formula

SMILES

C(CCN)CCNCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)COC(=O)O

InChI

InChI=1S/C20H42N6O5/c21-10-4-1-7-13-24-14-18(27)26-17(9-3-6-12-23)19(28)25-16(8-2-5-11-22)15-31-20(29)30/h16-17,24H,1-15,21-23H2,(H,25,28)(H,26,27)(H,29,30)/t16-,17+/m1/s1

InChIKey

DBKKBOGYFCQZEE-SJORKVTESA-N

Compound name

[(2R)-6-amino-2-[[(2S)-6-amino-2-[[2-(5-aminopentylamino)acetyl]amino]hexanoyl]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]+	447.32894	220.4
[M+Na]+	469.31088	234.1
[M-H]-	445.31438	227.2
[M+NH4]+	464.35548	217.3
[M+K]+	485.28482	223.4
[M+H-H2O]+	429.31892	196.8
[M+HCOO]-	491.31986	210.2
[M+CH3COO]-	505.33551	246.9
[M+Na-2H]-	467.29633	209.8
[M]+	446.32111	203.0
[M]-	446.32221	203.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.32894

220.4

[M+Na]+

469.31088

234.1

[M-H]-

445.31438

227.2

[M+NH4]+

464.35548

217.3

[M+K]+

485.28482

223.4

[M+H-H2O]+

429.31892

196.8

[M+HCOO]-

491.31986

210.2

[M+CH3COO]-

505.33551

246.9

[M+Na-2H]-

467.29633

209.8

[M]+

446.32111

203.0

[M]-

446.32221

203.0

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

5app-l-lys-d-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe