CID 694001

N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide

Structural Information

Molecular Formula
C10H8N2O5
SMILES
C1=COC(=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
InChIKey
ZGMGSSRLZJYOKH-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

3
Patents

236.04332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05060 148.8
[M+Na]+ 259.03254 155.8
[M-H]- 235.03604 157.8
[M+NH4]+ 254.07714 165.7
[M+K]+ 275.00648 152.6
[M+H-H2O]+ 219.04058 147.3
[M+HCOO]- 281.04152 177.1
[M+CH3COO]- 295.05717 183.1
[M+Na-2H]- 257.01799 157.0
[M]+ 236.04277 151.6
[M]- 236.04387 151.6
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