CID 45292

Ap 82

Structural Information

Molecular Formula
C24H31NO2
SMILES
CCCCN(CCCC)CCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C24H31NO2/c1-3-5-17-25(18-6-4-2)19-16-24(20-12-8-7-9-13-20)21-14-10-11-15-22(21)27-23(24)26/h7-15H,3-6,16-19H2,1-2H3
InChIKey
LVMLEONDPLUTCY-UHFFFAOYSA-N
Compound name
3-[2-(dibutylamino)ethyl]-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.242746 193.7
[M+Na]+ 388.224688 198.6
[M-H]- 364.228194 202.1
[M+NH4]+ 383.269293 209.8
[M+K]+ 404.198628 195.0
[M+H-H2O]+ 348.232730 185.1
[M+HCOO]- 410.233671 214.9
[M+CH3COO]- 424.249321 222.9
[M+Na-2H]- 386.210136 195.7
[M]+ 365.23492142 198.5
[M]- 365.23601858 198.5
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.