CID 100913107

Furagin soluble

Structural Information

Molecular Formula
C13H12N4O11
SMILES
C1[C@H]([C@@H](C(=C(O1)OC2=C(C=C(O2)[N+](=O)[O-])C=O)ONN3CC(=O)NC3=O)O)O
InChI
InChI=1S/C13H12N4O11/c18-3-5-1-8(17(23)24)26-11(5)27-12-10(9(21)6(19)4-25-12)28-15-16-2-7(20)14-13(16)22/h1,3,6,9,15,19,21H,2,4H2,(H,14,20,22)/t6-,9+/m1/s1
InChIKey
WGUCGZLRAOXZPT-MUWHJKNJSA-N
Compound name
2-[[(3R,4S)-5-[(2,4-dioxoimidazolidin-1-yl)amino]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-yl]oxy]-5-nitrofuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.05026 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05754 178.3
[M+Na]+ 423.03948 181.9
[M-H]- 399.04298 184.1
[M+NH4]+ 418.08408 183.2
[M+K]+ 439.01342 178.3
[M+H-H2O]+ 383.04752 175.1
[M+HCOO]- 445.04846 194.5
[M+CH3COO]- 459.06411 209.4
[M+Na-2H]- 421.02493 181.7
[M]+ 400.04971 177.9
[M]- 400.05081 177.9
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

No patent data available for this compound.