CID 6909762

Chembl481348

Structural Information

Molecular Formula
C12H10N4O4
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C12H10N4O4/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,13H2,(H,15,17)/b14-7+
InChIKey
OKFBAMVVJFGBDA-VGOFMYFVSA-N
Compound name
4-amino-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

274.0702 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 157.8
[M+Na]+ 297.05942 163.0
[M-H]- 273.06292 166.4
[M+NH4]+ 292.10402 172.4
[M+K]+ 313.03336 157.7
[M+H-H2O]+ 257.06746 153.9
[M+HCOO]- 319.06840 187.1
[M+CH3COO]- 333.08405 198.2
[M+Na-2H]- 295.04487 165.0
[M]+ 274.06965 156.1
[M]- 274.07075 156.1
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.