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]+ 316.227096 178.5
[M+Na]+ 338.209038 182.1
[M-H]- 314.212544 186.4
[M+NH4]+ 333.253643 196.4
[M+K]+ 354.182978 179.8
[M+H-H2O]+ 298.217080 170.9
[M+HCOO]- 360.218021 196.7
[M+CH3COO]- 374.233671 212.2
[M+Na-2H]- 336.194486 179.8
[M]+ 315.21927142 177.6
[M]- 315.22036858 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.