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 175.6
[M+Na]+ 344.10238 180.1
[M-H]- 320.10588 184.8
[M+NH4]+ 339.14698 192.0
[M+K]+ 360.07632 176.3
[M+H-H2O]+ 304.11042 168.8
[M+HCOO]- 366.11136 189.4
[M+CH3COO]- 380.12701 203.9
[M+Na-2H]- 342.08783 176.1
[M]+ 321.11261 172.2
[M]- 321.11371 172.2
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.