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]+ 366.24275 193.7
[M+Na]+ 388.22469 198.6
[M-H]- 364.22819 202.1
[M+NH4]+ 383.26929 209.8
[M+K]+ 404.19863 195.0
[M+H-H2O]+ 348.23273 185.1
[M+HCOO]- 410.23367 214.9
[M+CH3COO]- 424.24932 222.9
[M+Na-2H]- 386.21014 195.7
[M]+ 365.23492 198.5
[M]- 365.23602 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.