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]+ 430.222426 205.9
[M+Na]+ 452.204368 212.3
[M-H]- 428.207874 214.6
[M+NH4]+ 447.248973 217.1
[M+K]+ 468.178308 211.8
[M+H-H2O]+ 412.212410 197.0
[M+HCOO]- 474.213351 227.7
[M+CH3COO]- 488.229001 234.2
[M+Na-2H]- 450.189816 205.7
[M]+ 429.21460142 218.4
[M]- 429.21569858 218.4
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.