CID 321247

Deoxyfructosazine

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

5
References

61
Patents

304.12704 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13432 168.4
[M+Na]+ 327.11626 172.5
[M+NH4]+ 322.16086 169.0
[M+K]+ 343.09020 174.8
[M-H]- 303.11976 161.6
[M+Na-2H]- 325.10171 165.9
[M]+ 304.12649 166.0
[M]- 304.12759 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe