CID 45290

Ap 73

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCN(CC)CCC1(C2=CC=CC=C2OC1=O)C3CCCCC3
InChI
InChI=1S/C20H29NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3
InChIKey
GDMQAWULQKUMCH-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-[2-(diethylamino)ethyl]-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 178.5
[M+Na]+ 338.20904 182.1
[M-H]- 314.21254 186.4
[M+NH4]+ 333.25364 196.4
[M+K]+ 354.18298 179.8
[M+H-H2O]+ 298.21708 170.9
[M+HCOO]- 360.21802 196.7
[M+CH3COO]- 374.23367 212.2
[M+Na-2H]- 336.19449 179.8
[M]+ 315.21927 177.6
[M]- 315.22037 177.6
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.