CID 75046985

N2-fructopyranosylarginine

Structural Information

Molecular Formula

C₁₂H₂₄N₄O₇

SMILES

C1C(C(C(C(O1)(CNC(CCCN=C(N)N)C(=O)O)O)O)O)O

InChI

InChI=1S/C12H24N4O7/c13-11(14)15-3-1-2-6(10(20)21)16-5-12(22)9(19)8(18)7(17)4-23-12/h6-9,16-19,22H,1-5H2,(H,20,21)(H4,13,14,15)

InChIKey

DLFIWFDONDYZKI-UHFFFAOYSA-N

Compound name

5-(diaminomethylideneamino)-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 336.1645 Da
Monoisotopic Mass: -6.1
XlogP (predicted)

Profile

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]+	337.171776	174.3
[M+Na]+	359.153718	175.0
[M-H]-	335.157224	171.2
[M+NH4]+	354.198323	183.5
[M+K]+	375.127658	175.6
[M+H-H2O]+	319.161760	167.9
[M+HCOO]-	381.162701	187.8
[M+CH3COO]-	395.178351	213.5
[M+Na-2H]-	357.139166	172.8
[M]+	336.16395142	167.7
[M]-	336.16504858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe