CID 321247

Deoxyfuctosazine

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₇

SMILES

C1=C(N=CC(=N1)C(C(C(CO)O)O)O)CC(C(CO)O)O

InChI

InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2

InChIKey

FBDICDJCXVZLIP-UHFFFAOYSA-N

Compound name

1-[5-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 304.12704 Da
Monoisotopic Mass: -4.6
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]+	305.13432	167.6
[M+Na]+	327.11626	169.4
[M-H]-	303.11976	158.8
[M+NH4]+	322.16086	174.2
[M+K]+	343.09020	167.9
[M+H-H2O]+	287.12430	160.5
[M+HCOO]-	349.12524	174.5
[M+CH3COO]-	363.14089	190.8
[M+Na-2H]-	325.10171	164.5
[M]+	304.12649	163.9
[M]-	304.12759	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe