CID 9615336

Nifurmazole

Structural Information

Molecular Formula
C11H10N4O6
SMILES
C1C(=O)N(C(=O)N1/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-])CO
InChI
InChI=1S/C11H10N4O6/c16-7-13-9(17)6-14(11(13)18)12-5-1-2-8-3-4-10(21-8)15(19)20/h1-5,16H,6-7H2/b2-1+,12-5+
InChIKey
IKQHXERIXMQWQK-LYTCUFGASA-N
Compound name
3-(hydroxymethyl)-1-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

29
Patents

294.06003 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.067306 162.5
[M+Na]+ 317.049248 169.3
[M-H]- 293.052754 168.1
[M+NH4]+ 312.093853 175.9
[M+K]+ 333.023188 163.7
[M+H-H2O]+ 277.057290 159.4
[M+HCOO]- 339.058231 186.2
[M+CH3COO]- 353.073881 193.9
[M+Na-2H]- 315.034696 166.7
[M]+ 294.05948142 162.4
[M]- 294.06057858 162.4
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