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]+ 442.222426 205.3
[M+Na]+ 464.204368 210.4
[M-H]- 440.207874 213.1
[M+NH4]+ 459.248973 214.9
[M+K]+ 480.178308 207.7
[M+H-H2O]+ 424.212410 197.1
[M+HCOO]- 486.213351 221.8
[M+CH3COO]- 500.229001 225.9
[M+Na-2H]- 462.189816 202.1
[M]+ 441.21460142 211.8
[M]- 441.21569858 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.