CID 9571068

Nifurfoline

Structural Information

Molecular Formula
C13H15N5O6
SMILES
C1COCCN1CN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H15N5O6/c19-11-8-17(14-7-10-1-2-12(24-10)18(21)22)13(20)16(11)9-15-3-5-23-6-4-15/h1-2,7H,3-6,8-9H2/b14-7+
InChIKey
WCEJYDIWHURKJX-VGOFMYFVSA-N
Compound name
3-(morpholin-4-ylmethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1300
Patents

337.10223 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.109506 174.8
[M+Na]+ 360.091448 178.9
[M-H]- 336.094954 183.1
[M+NH4]+ 355.136053 183.6
[M+K]+ 376.065388 174.8
[M+H-H2O]+ 320.099490 169.8
[M+HCOO]- 382.100431 193.8
[M+CH3COO]- 396.116081 204.6
[M+Na-2H]- 358.076896 177.8
[M]+ 337.10168142 172.3
[M]- 337.10277858 172.3
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