CID 38603

Brn 1670045

Structural Information

Molecular Formula
C24H31NO6
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC(=CC=C3)OC)O)OC)OC
InChI
InChI=1S/C24H31NO6/c1-25(2)12-14-31-23-20(19(26)10-9-16-7-6-8-17(15-16)27-3)21(28-4)18-11-13-30-22(18)24(23)29-5/h6-8,11,13,15,19,26H,9-10,12,14H2,1-5H3
InChIKey
ZCTPUPUHTCNLDW-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.21515 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22243 204.8
[M+Na]+ 452.20437 216.7
[M+NH4]+ 447.24897 210.3
[M+K]+ 468.17831 212.7
[M-H]- 428.20787 209.4
[M+Na-2H]- 450.18982 208.8
[M]+ 429.21460 207.7
[M]- 429.21570 207.7
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.