CID 12285901

1-[6-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol

Structural Information

Molecular Formula
C12H20N2O7
SMILES
C1=C(N=C(C=N1)C(C(C(CO)O)O)O)CC(C(CO)O)O
InChI
InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2
InChIKey
MBHUNOHYVYVNIP-UHFFFAOYSA-N
Compound name
1-[6-(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

60
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 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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe