CID 53502

76410-43-0

Structural Information

Molecular Formula
C23H27NO5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CNC(C)C)O)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO5/c1-4-27-23(26)21-19-12-18(28-14-17(25)13-24-15(2)3)10-11-20(19)29-22(21)16-8-6-5-7-9-16/h5-12,15,17,24-25H,4,13-14H2,1-3H3
InChIKey
XRWLHPUCTUSHND-UHFFFAOYSA-N
Compound name
ethyl 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 196.7
[M+Na]+ 420.17815 207.8
[M+NH4]+ 415.22275 202.3
[M+K]+ 436.15209 204.1
[M-H]- 396.18165 200.8
[M+Na-2H]- 418.16360 200.9
[M]+ 397.18838 199.3
[M]- 397.18948 199.3
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.