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 206.6
[M+Na]+ 454.21999 211.1
[M-H]- 430.22349 214.4
[M+NH4]+ 449.26459 217.6
[M+K]+ 470.19393 210.9
[M+H-H2O]+ 414.22803 198.1
[M+HCOO]- 476.22897 225.6
[M+CH3COO]- 490.24462 234.9
[M+Na-2H]- 452.20544 204.8
[M]+ 431.23022 216.4
[M]- 431.23132 216.4
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.