CID 10089090

Schembl5895620

Structural Information

Molecular Formula
C20H16N2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C20H16N2O4/c21-15-8-6-14(7-9-15)19(23)22-17(20(24)25)12-16-10-11-18(26-16)13-4-2-1-3-5-13/h1-12H,21H2,(H,22,23)(H,24,25)/b17-12-
InChIKey
YNQBKWMVQGXLOW-ATVHPVEESA-N
Compound name
(Z)-2-[(4-aminobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

348.111 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.118276 182.6
[M+Na]+ 371.100218 187.0
[M-H]- 347.103724 191.5
[M+NH4]+ 366.144823 193.6
[M+K]+ 387.074158 183.7
[M+H-H2O]+ 331.108260 174.0
[M+HCOO]- 393.109201 204.4
[M+CH3COO]- 407.124851 213.1
[M+Na-2H]- 369.085666 182.7
[M]+ 348.11045142 180.8
[M]- 348.11154858 180.8
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