CID 38594

40680-84-0

Structural Information

Molecular Formula
C23H28FNO5
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=C(C=C3)F)O)OC)OC
InChI
InChI=1S/C23H28FNO5/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
NMYUXMIJIXEQAL-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.19516 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20244 202.0
[M+Na]+ 440.18438 209.2
[M-H]- 416.18788 209.5
[M+NH4]+ 435.22898 213.8
[M+K]+ 456.15832 207.6
[M+H-H2O]+ 400.19242 192.5
[M+HCOO]- 462.19336 222.9
[M+CH3COO]- 476.20901 231.7
[M+Na-2H]- 438.16983 201.4
[M]+ 417.19461 211.7
[M]- 417.19571 211.7
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.