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

literature stripe

Patent stripe

patents stripe