PubChemLite - L-lys-7ahp-l-lyscar (C22H46N6O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H46N6O5/c23-12-6-2-1-3-9-15-28(21(30)19(26)11-5-8-14-25)16-20(29)27-18(10-4-7-13-24)17-33-22(31)32/h18-19H,1-17,23-26H2,(H,27,29)(H,31,32)/t18-,19-/m0/s1

InChIKey

NPPZRCKIKNRBCV-OALUTQOASA-N

Compound name

[(2S)-6-amino-2-[[2-[7-aminoheptyl-[(2S)-2,6-diaminohexanoyl]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]+	475.36025	220.9
[M+Na]+	497.34219	235.7
[M-H]-	473.34569	228.4
[M+NH4]+	492.38679	220.6
[M+K]+	513.31613	226.0
[M+H-H2O]+	457.35023	217.5
[M+HCOO]-	519.35117	208.8
[M+CH3COO]-	533.36682	255.1
[M+Na-2H]-	495.32764	211.1
[M]+	474.35242	204.0
[M]-	474.35352	204.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.36025

220.9

[M+Na]+

497.34219

235.7

[M-H]-

473.34569

228.4

[M+NH4]+

492.38679

220.6

[M+K]+

513.31613

226.0

[M+H-H2O]+

457.35023

217.5

[M+HCOO]-

519.35117

208.8

[M+CH3COO]-

533.36682

255.1

[M+Na-2H]-

495.32764

211.1

[M]+

474.35242

204.0

[M]-

474.35352

204.0

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

L-lys-7ahp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe