CID 6433973

(p-fluorocinnamoyl)-5 dimethoxy-4,7 dimethylaminoethoxy-6 benzofuranne maleate [french]

Structural Information

Molecular Formula
C23H24FNO5
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)F)OC)OC
InChI
InChI=1S/C23H24FNO5/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/h5-11,13H,12,14H2,1-4H3/b10-7+
InChIKey
CCYLRFCFIKRBCZ-JXMROGBWSA-N
Compound name
(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16385 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17113 199.9
[M+Na]+ 436.15307 208.3
[M-H]- 412.15657 208.9
[M+NH4]+ 431.19767 212.5
[M+K]+ 452.12701 206.2
[M+H-H2O]+ 396.16111 190.4
[M+HCOO]- 458.16205 222.8
[M+CH3COO]- 472.17770 232.0
[M+Na-2H]- 434.13852 199.8
[M]+ 413.16330 210.0
[M]- 413.16440 210.0
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.