CID 3041541

54279-53-7

Structural Information

Molecular Formula
C24H33NO6
SMILES
CN(C)CCOC1=C(C2=C(CCO2)C(=C1C(CCC3=CC=C(C=C3)OC)O)OC)OC
InChI
InChI=1S/C24H33NO6/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5/h6-7,9-10,19,26H,8,11-15H2,1-5H3
InChIKey
XQPJTWYVZOUPRV-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-2,3-dihydro-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.23077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.23805 205.6
[M+Na]+ 454.21999 215.7
[M+NH4]+ 449.26459 211.1
[M+K]+ 470.19393 212.2
[M-H]- 430.22349 209.8
[M+Na-2H]- 452.20544 208.0
[M]+ 431.23022 208.1
[M]- 431.23132 208.1
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.