CID 9554012

Brn 0829242

Structural Information

Molecular Formula
C9H6N4O6
SMILES
C1C(=O)NC(=O)N1/N=C/C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N4O6/c14-5(6-1-2-8(19-6)13(17)18)3-10-12-4-7(15)11-9(12)16/h1-3H,4H2,(H,11,15,16)/b10-3+
InChIKey
MQPXHFIDWDGJRK-XCVCLJGOSA-N
Compound name
1-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02875 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03603 152.8
[M+Na]+ 289.01797 159.3
[M-H]- 265.02147 158.5
[M+NH4]+ 284.06257 166.9
[M+K]+ 304.99191 154.7
[M+H-H2O]+ 249.02601 149.9
[M+HCOO]- 311.02695 176.3
[M+CH3COO]- 325.04260 188.1
[M+Na-2H]- 287.00342 157.6
[M]+ 266.02820 151.1
[M]- 266.02930 151.1
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.