CID 9975098

Schembl5895035

Structural Information

Molecular Formula
C20H15NO5
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C20H15NO5/c22-17-9-5-4-8-15(17)19(23)21-16(20(24)25)12-14-10-11-18(26-14)13-6-2-1-3-7-13/h1-12,22H,(H,21,23)(H,24,25)/b16-12-
InChIKey
ZSRNLKSKUGDDIJ-VBKFSLOCSA-N
Compound name
(Z)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

349.09503 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10231 181.0
[M+Na]+ 372.08425 185.7
[M-H]- 348.08775 189.1
[M+NH4]+ 367.12885 191.7
[M+K]+ 388.05819 182.5
[M+H-H2O]+ 332.09229 172.9
[M+HCOO]- 394.09323 201.1
[M+CH3COO]- 408.10888 208.3
[M+Na-2H]- 370.06970 181.3
[M]+ 349.09448 180.4
[M]- 349.09558 180.4
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

No patent data available for this compound.