CID 38598

40680-90-8

Structural Information

Molecular Formula
C26H35NO6
SMILES
CCCOC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN(C)C)OC)OC=C3)OC)O
InChI
InChI=1S/C26H35NO6/c1-6-15-31-19-10-7-18(8-11-19)9-12-21(28)22-23(29-4)20-13-16-32-24(20)26(30-5)25(22)33-17-14-27(2)3/h7-8,10-11,13,16,21,28H,6,9,12,14-15,17H2,1-5H3
InChIKey
BVJDLILBGMWZNB-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-propoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.24643 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.25371 215.3
[M+Na]+ 480.23565 220.7
[M-H]- 456.23915 223.5
[M+NH4]+ 475.28025 225.2
[M+K]+ 496.20959 219.8
[M+H-H2O]+ 440.24369 206.0
[M+HCOO]- 502.24463 236.3
[M+CH3COO]- 516.26028 239.9
[M+Na-2H]- 478.22110 213.9
[M]+ 457.24588 228.4
[M]- 457.24698 228.4
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.