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]+ 380.258406 198.3
[M+Na]+ 402.240348 202.7
[M-H]- 378.243854 206.4
[M+NH4]+ 397.284953 213.7
[M+K]+ 418.214288 198.9
[M+H-H2O]+ 362.248390 189.5
[M+HCOO]- 424.249331 219.1
[M+CH3COO]- 438.264981 225.8
[M+Na-2H]- 400.225796 199.7
[M]+ 379.25058142 203.4
[M]- 379.25167858 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.