CID 16073213

Schembl2839304

Structural Information

Molecular Formula
C20H18FNO5
SMILES
CC1=CC2=C(C=C1OC(C)C(=O)O)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC
InChI
InChI=1S/C20H18FNO5/c1-10-8-16-14(9-15(10)26-11(2)20(24)25)17(19(23)22-3)18(27-16)12-4-6-13(21)7-5-12/h4-9,11H,1-3H3,(H,22,23)(H,24,25)
InChIKey
BLKZBZKTGZOWBG-UHFFFAOYSA-N
Compound name
2-[[2-(4-fluorophenyl)-6-methyl-3-(methylcarbamoyl)-1-benzofuran-5-yl]oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

371.1169 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.12418 185.6
[M+Na]+ 394.10612 194.2
[M-H]- 370.10962 192.6
[M+NH4]+ 389.15072 198.5
[M+K]+ 410.08006 191.9
[M+H-H2O]+ 354.11416 177.6
[M+HCOO]- 416.11510 205.6
[M+CH3COO]- 430.13075 219.8
[M+Na-2H]- 392.09157 185.3
[M]+ 371.11635 190.7
[M]- 371.11745 190.7
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

patents stripe