PubChemLite - D-gln-5app-l-lyscar (C19H38N6O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H38N6O6/c20-9-3-1-5-11-25(18(28)15(22)7-8-16(23)26)12-17(27)24-14(6-2-4-10-21)13-31-19(29)30/h14-15H,1-13,20-22H2,(H2,23,26)(H,24,27)(H,29,30)/t14-,15+/m0/s1

InChIKey

SXFZKLDREDSJPP-LSDHHAIUSA-N

Compound name

[(2S)-6-amino-2-[[2-[5-aminopentyl-[(2R)-2,5-diamino-5-oxopentanoyl]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]+	447.29256	206.4
[M+Na]+	469.27450	222.0
[M-H]-	445.27800	217.4
[M+NH4]+	464.31910	208.6
[M+K]+	485.24844	211.4
[M+H-H2O]+	429.28254	204.1
[M+HCOO]-	491.28348	194.0
[M+CH3COO]-	505.29913	249.1
[M+Na-2H]-	467.25995	199.0
[M]+	446.28473	189.8
[M]-	446.28583	189.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.29256

206.4

[M+Na]+

469.27450

222.0

[M-H]-

445.27800

217.4

[M+NH4]+

464.31910

208.6

[M+K]+

485.24844

211.4

[M+H-H2O]+

429.28254

204.1

[M+HCOO]-

491.28348

194.0

[M+CH3COO]-

505.29913

249.1

[M+Na-2H]-

467.25995

199.0

[M]+

446.28473

189.8

[M]-

446.28583

189.8

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

D-gln-5app-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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