CID 38291

39544-02-0

Structural Information

Molecular Formula
C18H25NO4
SMILES
CCC1=CC2=C(C=CC(=C2O1)OCC(CNC(C)C)O)C(=O)C
InChI
InChI=1S/C18H25NO4/c1-5-14-8-16-15(12(4)20)6-7-17(18(16)23-14)22-10-13(21)9-19-11(2)3/h6-8,11,13,19,21H,5,9-10H2,1-4H3
InChIKey
BRVULYXDWZNOSX-UHFFFAOYSA-N
Compound name
1-[2-ethyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.185616 178.6
[M+Na]+ 342.167558 184.9
[M-H]- 318.171064 182.6
[M+NH4]+ 337.212163 193.8
[M+K]+ 358.141498 183.4
[M+H-H2O]+ 302.175600 172.1
[M+HCOO]- 364.176541 198.6
[M+CH3COO]- 378.192191 211.6
[M+Na-2H]- 340.153006 178.7
[M]+ 319.17779142 184.9
[M]- 319.17888858 184.9
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

patents stripe