CID 59441520

[3-[1-formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1h-pyrrole-1-acetic acid, 9ci

Structural Information

Molecular Formula
C23H17NO7
SMILES
CC(C(=O)O)N1/C(=C/C2=CC=CO2)/C(=O)C(=C1C3=CC=CO3)/C(=C\C4=CC=CO4)/C=O
InChI
InChI=1S/C23H17NO7/c1-14(23(27)28)24-18(12-17-6-3-9-30-17)22(26)20(21(24)19-7-4-10-31-19)15(13-25)11-16-5-2-8-29-16/h2-14H,1H3,(H,27,28)/b15-11-,18-12+
InChIKey
WKLHCENPFNYZSQ-DARJFKRNSA-N
Compound name
2-[(5E)-2-(furan-2-yl)-5-(furan-2-ylmethylidene)-3-[(E)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-oxopyrrol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

419.1005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10778 192.2
[M+Na]+ 442.08972 201.5
[M+NH4]+ 437.13432 195.3
[M+K]+ 458.06366 207.1
[M-H]- 418.09322 197.8
[M+Na-2H]- 440.07517 195.0
[M]+ 419.09995 194.7
[M]- 419.10105 194.7
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