CID 1556692

304896-38-6

Structural Information

Molecular Formula
C19H20O5
SMILES
CCOC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)C)C(=O)OCC
InChI
InChI=1S/C19H20O5/c1-4-22-18(20)16(19(21)23-5-2)12-15-10-11-17(24-15)14-8-6-13(3)7-9-14/h6-12H,4-5H2,1-3H3
InChIKey
DVCNIVCPEPLRIM-UHFFFAOYSA-N
Compound name
diethyl 2-[[5-(4-methylphenyl)furan-2-yl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 178.2
[M+Na]+ 351.12029 184.3
[M-H]- 327.12379 185.6
[M+NH4]+ 346.16489 192.4
[M+K]+ 367.09423 183.1
[M+H-H2O]+ 311.12833 171.0
[M+HCOO]- 373.12927 199.4
[M+CH3COO]- 387.14492 207.7
[M+Na-2H]- 349.10574 177.1
[M]+ 328.13052 184.2
[M]- 328.13162 184.2
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.