CID 12170452

Ethyl 4,5-dimethyl-2-phenylfuran-3-carboxylate

Structural Information

Molecular Formula
C15H16O3
SMILES
CCOC(=O)C1=C(OC(=C1C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H16O3/c1-4-17-15(16)13-10(2)11(3)18-14(13)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKey
NBEDPIKZSDRZTO-UHFFFAOYSA-N
Compound name
ethyl 4,5-dimethyl-2-phenylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.3
[M+Na]+ 267.09916 163.4
[M-H]- 243.10266 162.6
[M+NH4]+ 262.14376 172.8
[M+K]+ 283.07310 162.0
[M+H-H2O]+ 227.10720 148.1
[M+HCOO]- 289.10814 178.2
[M+CH3COO]- 303.12379 193.8
[M+Na-2H]- 265.08461 157.1
[M]+ 244.10939 159.3
[M]- 244.11049 159.3
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.