CID 38602

40680-92-0

Structural Information

Molecular Formula
C24H31NO6
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3OC)O)OC)OC
InChI
InChI=1S/C24H31NO6/c1-25(2)13-15-31-23-20(18(26)11-10-16-8-6-7-9-19(16)27-3)21(28-4)17-12-14-30-22(17)24(23)29-5/h6-9,12,14,18,26H,10-11,13,15H2,1-5H3
InChIKey
GAIKPGMIOPPHFI-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-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 205.9
[M+Na]+ 452.20437 212.3
[M-H]- 428.20787 214.6
[M+NH4]+ 447.24897 217.1
[M+K]+ 468.17831 211.8
[M+H-H2O]+ 412.21241 197.0
[M+HCOO]- 474.21335 227.7
[M+CH3COO]- 488.22900 234.2
[M+Na-2H]- 450.18982 205.7
[M]+ 429.21460 218.4
[M]- 429.21570 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.