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]+ 320.18562 178.6
[M+Na]+ 342.16756 184.9
[M-H]- 318.17106 182.6
[M+NH4]+ 337.21216 193.8
[M+K]+ 358.14150 183.4
[M+H-H2O]+ 302.17560 172.1
[M+HCOO]- 364.17654 198.6
[M+CH3COO]- 378.19219 211.6
[M+Na-2H]- 340.15301 178.7
[M]+ 319.17779 184.9
[M]- 319.17889 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