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]+ 329.138346 178.2
[M+Na]+ 351.120288 184.3
[M-H]- 327.123794 185.6
[M+NH4]+ 346.164893 192.4
[M+K]+ 367.094228 183.1
[M+H-H2O]+ 311.128330 171.0
[M+HCOO]- 373.129271 199.4
[M+CH3COO]- 387.144921 207.7
[M+Na-2H]- 349.105736 177.1
[M]+ 328.13052142 184.2
[M]- 328.13161858 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.