CID 10042490

Schembl5897261

Structural Information

Molecular Formula
C19H14N2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H14N2O4/c22-18(14-7-4-10-20-12-14)21-16(19(23)24)11-15-8-9-17(25-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)/b16-11-
InChIKey
DZPCMUVKVUIFQW-WJDWOHSUSA-N
Compound name
(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.09537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10265 177.3
[M+Na]+ 357.08459 182.1
[M-H]- 333.08809 185.1
[M+NH4]+ 352.12919 187.7
[M+K]+ 373.05853 178.9
[M+H-H2O]+ 317.09263 168.0
[M+HCOO]- 379.09357 197.7
[M+CH3COO]- 393.10922 206.7
[M+Na-2H]- 355.07004 179.1
[M]+ 334.09482 176.7
[M]- 334.09592 176.7
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