CID 6480681

Chembl193403

Structural Information

Molecular Formula
C20H14FNO4
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC=CC=C3F)/C(=O)O
InChI
InChI=1S/C20H14FNO4/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12-
InChIKey
MKPUFNGFXMMNGH-ATVHPVEESA-N
Compound name
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

351.0907 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09798 181.3
[M+Na]+ 374.07992 186.8
[M-H]- 350.08342 189.3
[M+NH4]+ 369.12452 192.7
[M+K]+ 390.05386 183.1
[M+H-H2O]+ 334.08796 172.1
[M+HCOO]- 396.08890 201.7
[M+CH3COO]- 410.10455 210.8
[M+Na-2H]- 372.06537 181.2
[M]+ 351.09015 180.1
[M]- 351.09125 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe