PubChemLite - L-argcar-l-lys-d-lyscar (C20H42N8O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H42N8O6/c21-9-3-1-7-15(13-34-20(31)32)27-17(29)16(8-2-4-10-22)28-19(30)33-12-14(23)6-5-11-26-18(24)25/h14-16H,1-13,21-23H2,(H,27,29)(H,28,30)(H,31,32)(H4,24,25,26)/t14-,15+,16-/m0/s1

InChIKey

MIVRLDYGDFODRA-XHSDSOJGSA-N

Compound name

[(2R)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentoxy]carbonylamino]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]+	491.33000	209.9
[M+Na]+	513.31194	226.8
[M-H]-	489.31544	223.9
[M+NH4]+	508.35654	209.3
[M+K]+	529.28588	214.8
[M+H-H2O]+	473.31998	205.3
[M+HCOO]-	535.32092	193.2
[M+CH3COO]-	549.33657	261.4
[M+Na-2H]-	511.29739	202.3
[M]+	490.32217	188.1
[M]-	490.32327	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.33000

209.9

[M+Na]+

513.31194

226.8

[M-H]-

489.31544

223.9

[M+NH4]+

508.35654

209.3

[M+K]+

529.28588

214.8

[M+H-H2O]+

473.31998

205.3

[M+HCOO]-

535.32092

193.2

[M+CH3COO]-

549.33657

261.4

[M+Na-2H]-

511.29739

202.3

[M]+

490.32217

188.1

[M]-

490.32327

188.1

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

L-argcar-l-lys-d-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe