CID 840339

Chembl186248

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1CCC(CC1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O4/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16/h6-8H,1-5H2,(H,12,14)
InChIKey
HDJQCPXCTJSUPW-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

7
Patents

238.09535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 151.6
[M+Na]+ 261.08457 154.7
[M-H]- 237.08807 158.2
[M+NH4]+ 256.12917 167.7
[M+K]+ 277.05851 150.3
[M+H-H2O]+ 221.09261 149.3
[M+HCOO]- 283.09355 174.1
[M+CH3COO]- 297.10920 184.7
[M+Na-2H]- 259.07002 156.8
[M]+ 238.09480 146.5
[M]- 238.09590 146.5
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.