CID 9571498

Nsc673310

Structural Information

Molecular Formula
C20H16N2O7
SMILES
CC(=O)/C(=N\NC1=CC=C(C=C1)C(=O)O)/C(=O)C2=C(C3=C(C=C2O)OC=C3)OC
InChI
InChI=1S/C20H16N2O7/c1-10(23)17(22-21-12-5-3-11(4-6-12)20(26)27)18(25)16-14(24)9-15-13(7-8-29-15)19(16)28-2/h3-9,21,24H,1-2H3,(H,26,27)/b22-17+
InChIKey
OYLAIYUAOKLGQO-OQKWZONESA-N
Compound name
4-[(2E)-2-[1-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)-1,3-dioxobutan-2-ylidene]hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.09576 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10304 189.1
[M+Na]+ 419.08498 195.2
[M-H]- 395.08848 197.1
[M+NH4]+ 414.12958 199.7
[M+K]+ 435.05892 194.7
[M+H-H2O]+ 379.09302 181.1
[M+HCOO]- 441.09396 210.8
[M+CH3COO]- 455.10961 225.6
[M+Na-2H]- 417.07043 190.0
[M]+ 396.09521 194.8
[M]- 396.09631 194.8
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

No patent data available for this compound.