CID 45294

Ap 81

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCCCN(CCCC)CCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C25H33NO2/c1-3-5-18-26(19-6-4-2)20-12-17-25(21-13-8-7-9-14-21)22-15-10-11-16-23(22)28-24(25)27/h7-11,13-16H,3-6,12,17-20H2,1-2H3
InChIKey
AKDBWOZUOOWSNL-UHFFFAOYSA-N
Compound name
3-[3-(dibutylamino)propyl]-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 198.3
[M+Na]+ 402.24035 202.7
[M-H]- 378.24385 206.4
[M+NH4]+ 397.28495 213.7
[M+K]+ 418.21429 198.9
[M+H-H2O]+ 362.24839 189.5
[M+HCOO]- 424.24933 219.1
[M+CH3COO]- 438.26498 225.8
[M+Na-2H]- 400.22580 199.7
[M]+ 379.25058 203.4
[M]- 379.25168 203.4
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.