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]+ 349.11828 182.6
[M+Na]+ 371.10022 187.0
[M-H]- 347.10372 191.5
[M+NH4]+ 366.14482 193.6
[M+K]+ 387.07416 183.7
[M+H-H2O]+ 331.10826 174.0
[M+HCOO]- 393.10920 204.4
[M+CH3COO]- 407.12485 213.1
[M+Na-2H]- 369.08567 182.7
[M]+ 348.11045 180.8
[M]- 348.11155 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