CID 16073353

Schembl2840399

Structural Information

Molecular Formula
C24H18FNO5
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H18FNO5/c1-26-23(27)21-19-12-18(30-13-14-2-4-16(5-3-14)24(28)29)10-11-20(19)31-22(21)15-6-8-17(25)9-7-15/h2-12H,13H2,1H3,(H,26,27)(H,28,29)
InChIKey
NQNKSZUZLCRFFM-UHFFFAOYSA-N
Compound name
4-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]oxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

419.1169 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12418 198.6
[M+Na]+ 442.10612 206.7
[M-H]- 418.10962 208.4
[M+NH4]+ 437.15072 208.8
[M+K]+ 458.08006 202.9
[M+H-H2O]+ 402.11416 188.7
[M+HCOO]- 464.11510 219.3
[M+CH3COO]- 478.13075 226.9
[M+Na-2H]- 440.09157 199.3
[M]+ 419.11635 202.8
[M]- 419.11745 202.8
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