CID 38592

40680-83-9

Structural Information

Molecular Formula
C23H27Cl2NO5
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC(=C(C=C3)Cl)Cl)O)OC)OC
InChI
InChI=1S/C23H27Cl2NO5/c1-26(2)10-12-31-22-19(18(27)8-6-14-5-7-16(24)17(25)13-14)20(28-3)15-9-11-30-21(15)23(22)29-4/h5,7,9,11,13,18,27H,6,8,10,12H2,1-4H3
InChIKey
BYZKPFMASWLGFG-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-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

467.12662 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.13390 211.3
[M+Na]+ 490.11584 220.6
[M-H]- 466.11934 219.7
[M+NH4]+ 485.16044 223.0
[M+K]+ 506.08978 216.8
[M+H-H2O]+ 450.12388 204.6
[M+HCOO]- 512.12482 223.8
[M+CH3COO]- 526.14047 237.4
[M+Na-2H]- 488.10129 209.6
[M]+ 467.12607 226.3
[M]- 467.12717 226.3
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.