CID 38605

Brn 1669310

Structural Information

Molecular Formula
C23H29NO6
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC(=CC=C3)O)O)OC)OC
InChI
InChI=1S/C23H29NO6/c1-24(2)11-13-30-22-19(18(26)9-8-15-6-5-7-16(25)14-15)20(27-3)17-10-12-29-21(17)23(22)28-4/h5-7,10,12,14,18,25-26H,8-9,11,13H2,1-4H3
InChIKey
VLWVBEPLZKBNAX-UHFFFAOYSA-N
Compound name
3-[3-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20678 200.9
[M+Na]+ 438.18872 212.4
[M+NH4]+ 433.23332 206.2
[M+K]+ 454.16266 209.0
[M-H]- 414.19222 205.0
[M+Na-2H]- 436.17417 204.5
[M]+ 415.19895 203.6
[M]- 415.20005 203.6
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.