CID 38588

Brn 1672207

Structural Information

Molecular Formula
C28H39NO6
SMILES
CC(C)N(CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=C(C=C3)OC)O)OC)OC)C(C)C
InChI
InChI=1S/C28H39NO6/c1-18(2)29(19(3)4)15-17-35-27-24(23(30)13-10-20-8-11-21(31-5)12-9-20)25(32-6)22-14-16-34-26(22)28(27)33-7/h8-9,11-12,14,16,18-19,23,30H,10,13,15,17H2,1-7H3
InChIKey
XLYIFSCRAIIYBZ-UHFFFAOYSA-N
Compound name
1-[6-[2-[di(propan-2-yl)amino]ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.27774 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.28502 221.4
[M+Na]+ 508.26696 231.7
[M+NH4]+ 503.31156 226.0
[M+K]+ 524.24090 228.5
[M-H]- 484.27046 225.5
[M+Na-2H]- 506.25241 223.8
[M]+ 485.27719 223.9
[M]- 485.27829 223.9
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.