CID 54699186

Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate

Structural Information

Molecular Formula
C19H14O5
SMILES
COC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC=CC=C3
InChI
InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3/b17-15-
InChIKey
OMZRMXULWNMRAE-ICFOKQHNSA-N
Compound name
methyl (2Z)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

211
Patents

322.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09142 172.8
[M+Na]+ 345.07336 179.7
[M-H]- 321.07686 182.4
[M+NH4]+ 340.11796 186.1
[M+K]+ 361.04730 177.0
[M+H-H2O]+ 305.08140 165.3
[M+HCOO]- 367.08234 193.4
[M+CH3COO]- 381.09799 202.9
[M+Na-2H]- 343.05881 173.0
[M]+ 322.08359 174.0
[M]- 322.08469 174.0
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.