CID 38590

Brn 1669330

Structural Information

Molecular Formula
C23H28ClNO5
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=C(C=C3)Cl)O)OC)OC
InChI
InChI=1S/C23H28ClNO5/c1-25(2)12-14-30-22-19(18(26)10-7-15-5-8-16(24)9-6-15)20(27-3)17-11-13-29-21(17)23(22)28-4/h5-6,8-9,11,13,18,26H,7,10,12,14H2,1-4H3
InChIKey
FIRFVHXBFDPJAC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17288 205.7
[M+Na]+ 456.15482 213.8
[M-H]- 432.15832 214.5
[M+NH4]+ 451.19942 218.0
[M+K]+ 472.12876 211.0
[M+H-H2O]+ 416.16286 198.1
[M+HCOO]- 478.16380 223.3
[M+CH3COO]- 492.17945 232.5
[M+Na-2H]- 454.14027 205.4
[M]+ 433.16505 219.0
[M]- 433.16615 219.0
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.