CID 3006138

Chembl365901

Structural Information

Molecular Formula
C12H10N2O5
SMILES
COC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O5/c1-18-9-4-2-3-8(7-9)13-12(15)10-5-6-11(19-10)14(16)17/h2-7H,1H3,(H,13,15)
InChIKey
XVWMZIVFRVVKAL-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

262.05896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06624 155.1
[M+Na]+ 285.04818 161.4
[M-H]- 261.05168 163.0
[M+NH4]+ 280.09278 170.6
[M+K]+ 301.02212 156.8
[M+H-H2O]+ 245.05622 152.4
[M+HCOO]- 307.05716 181.7
[M+CH3COO]- 321.07281 189.9
[M+Na-2H]- 283.03363 162.0
[M]+ 262.05841 156.3
[M]- 262.05951 156.3
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