CID 37022

2-(p-chlorophenyl)-n-cyclohexyltetrahydro-2-furamide

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
C1CCC(CC1)NC(=O)C2(CCC(=O)O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H20ClNO3/c18-13-8-6-12(7-9-13)17(11-10-15(20)22-17)16(21)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,19,21)
InChIKey
WVPRACBBXAHOHI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-cyclohexyl-5-oxooxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 173.9
[M+Na]+ 344.10238 184.6
[M+NH4]+ 339.14698 183.3
[M+K]+ 360.07632 177.8
[M-H]- 320.10588 180.2
[M+Na-2H]- 342.08783 181.1
[M]+ 321.11261 177.4
[M]- 321.11371 177.4
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.