CID 38604

Brn 1669695

Structural Information

Molecular Formula
C23H29NO6
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3O)O)OC)OC
InChI
InChI=1S/C23H29NO6/c1-24(2)12-14-30-22-19(18(26)10-9-15-7-5-6-8-17(15)25)20(27-3)16-11-13-29-21(16)23(22)28-4/h5-8,11,13,18,25-26H,9-10,12,14H2,1-4H3
InChIKey
ZMIDRJWSHOJQLB-UHFFFAOYSA-N
Compound name
2-[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 201.1
[M+Na]+ 438.18872 207.4
[M-H]- 414.19222 208.6
[M+NH4]+ 433.23332 212.1
[M+K]+ 454.16266 206.4
[M+H-H2O]+ 398.19676 192.7
[M+HCOO]- 460.19770 221.7
[M+CH3COO]- 474.21335 229.1
[M+Na-2H]- 436.17417 201.0
[M]+ 415.19895 211.5
[M]- 415.20005 211.5
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.