CID 6480674

(2z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid

Structural Information

Molecular Formula
C20H15NO4
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H15NO4/c22-19(15-9-5-2-6-10-15)21-17(20(23)24)13-16-11-12-18(25-16)14-7-3-1-4-8-14/h1-13H,(H,21,22)(H,23,24)/b17-13-
InChIKey
KDISRIDUUZPGPA-LGMDPLHJSA-N
Compound name
(Z)-2-benzamido-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

333.1001 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 178.4
[M+Na]+ 356.08932 182.9
[M-H]- 332.09282 187.4
[M+NH4]+ 351.13392 190.3
[M+K]+ 372.06326 179.7
[M+H-H2O]+ 316.09736 170.0
[M+HCOO]- 378.09830 199.8
[M+CH3COO]- 392.11395 207.0
[M+Na-2H]- 354.07477 179.6
[M]+ 333.09955 177.7
[M]- 333.10065 177.7
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