CID 2934348

618072-47-2

Structural Information

Molecular Formula
C20H15NO6
SMILES
C1=CC(=CC(=C1)O)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CO4
InChI
InChI=1S/C20H15NO6/c22-13-5-1-4-12(10-13)17-16(18(23)15-7-3-9-27-15)19(24)20(25)21(17)11-14-6-2-8-26-14/h1-10,17,22,24H,11H2
InChIKey
NULHSMLKWOVKHZ-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

365.08994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09722 179.1
[M+Na]+ 388.07916 188.1
[M-H]- 364.08266 192.0
[M+NH4]+ 383.12376 191.2
[M+K]+ 404.05310 186.4
[M+H-H2O]+ 348.08720 173.6
[M+HCOO]- 410.08814 200.8
[M+CH3COO]- 424.10379 191.4
[M+Na-2H]- 386.06461 176.8
[M]+ 365.08939 184.4
[M]- 365.09049 184.4
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

No patent data available for this compound.