CID 10474006

Schembl5895436

Structural Information

Molecular Formula
C20H15NO6
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=C(C=CC(=C3)O)O
InChI
InChI=1S/C20H15NO6/c22-13-6-8-17(23)15(10-13)19(24)21-16(20(25)26)11-14-7-9-18(27-14)12-4-2-1-3-5-12/h1-11,22-23H,(H,21,24)(H,25,26)/b16-11-
InChIKey
YXEADQCBAVXDHC-WJDWOHSUSA-N
Compound name
(Z)-2-[(2,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

365.08994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09722 183.6
[M+Na]+ 388.07916 188.4
[M-H]- 364.08266 190.7
[M+NH4]+ 383.12376 193.1
[M+K]+ 404.05310 185.4
[M+H-H2O]+ 348.08720 175.6
[M+HCOO]- 410.08814 202.3
[M+CH3COO]- 424.10379 209.9
[M+Na-2H]- 386.06461 182.9
[M]+ 365.08939 183.0
[M]- 365.09049 183.0
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