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]+ 398.196206 197.8
[M+Na]+ 420.178148 202.8
[M-H]- 396.181654 204.8
[M+NH4]+ 415.222753 209.1
[M+K]+ 436.152088 200.8
[M+H-H2O]+ 380.186190 189.5
[M+HCOO]- 442.187131 217.7
[M+CH3COO]- 456.202781 223.9
[M+Na-2H]- 418.163596 197.8
[M]+ 397.18838142 204.6
[M]- 397.18947858 204.6
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.