CID 38607

40680-99-7

Structural Information

Molecular Formula
C25H31NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(CCC4=CC(=CC=C4)O)O
InChI
InChI=1S/C25H31NO6/c1-29-22-19-10-14-31-23(19)25(30-2)24(32-15-13-26-11-3-4-12-26)21(22)20(28)9-8-17-6-5-7-18(27)16-17/h5-7,10,14,16,20,27-28H,3-4,8-9,11-13,15H2,1-2H3
InChIKey
AYHWGRWLMHSBGC-UHFFFAOYSA-N
Compound name
3-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.21515 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22243 205.3
[M+Na]+ 464.20437 210.4
[M-H]- 440.20787 213.1
[M+NH4]+ 459.24897 214.9
[M+K]+ 480.17831 207.7
[M+H-H2O]+ 424.21241 197.1
[M+HCOO]- 486.21335 221.8
[M+CH3COO]- 500.22900 225.9
[M+Na-2H]- 462.18982 202.1
[M]+ 441.21460 211.8
[M]- 441.21570 211.8
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.