CID 53494

76410-24-7

Structural Information

Molecular Formula
C26H27NO5
SMILES
CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(CNCC4=CC=CC=C4)O)C
InChI
InChI=1S/C26H27NO5/c1-3-30-26(29)24-17(2)32-25-21-10-7-11-23(20(21)12-13-22(24)25)31-16-19(28)15-27-14-18-8-5-4-6-9-18/h4-13,19,27-28H,3,14-16H2,1-2H3
InChIKey
XXZQUXQTBFYTIC-UHFFFAOYSA-N
Compound name
ethyl 6-[3-(benzylamino)-2-hydroxypropoxy]-2-methylbenzo[g][1]benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.18893 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19621 206.4
[M+Na]+ 456.17815 219.5
[M+NH4]+ 451.22275 212.9
[M+K]+ 472.15209 213.9
[M-H]- 432.18165 211.9
[M+Na-2H]- 454.16360 211.2
[M]+ 433.18838 209.8
[M]- 433.18948 209.8
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.