CID 45296

Ap 60

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCC1(C2=C(C=CC(=C2)C)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-4-22(5-2)14-13-21(17-9-7-6-8-10-17)18-15-16(3)11-12-19(18)24-20(21)23/h6-12,15H,4-5,13-14H2,1-3H3
InChIKey
UGXZCGVBPHSEIC-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-5-methyl-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 178.7
[M+Na]+ 346.17776 191.9
[M+NH4]+ 341.22236 188.8
[M+K]+ 362.15170 183.6
[M-H]- 322.18126 185.4
[M+Na-2H]- 344.16321 186.6
[M]+ 323.18799 182.8
[M]- 323.18909 182.8
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.