CID 70388369

Dibenzyl ethoxymethylenemalonate

Structural Information

Molecular Formula
C20H20O5
SMILES
CCOC=C(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H20O5/c1-2-23-15-18(19(21)24-13-16-9-5-3-6-10-16)20(22)25-14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3
InChIKey
CAWVNWVFAVJLIL-UHFFFAOYSA-N
Compound name
dibenzyl 2-(ethoxymethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.13107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 181.3
[M+Na]+ 363.12029 185.0
[M-H]- 339.12379 186.8
[M+NH4]+ 358.16489 193.6
[M+K]+ 379.09423 182.5
[M+H-H2O]+ 323.12833 172.3
[M+HCOO]- 385.12927 202.2
[M+CH3COO]- 399.14492 208.2
[M+Na-2H]- 361.10574 182.5
[M]+ 340.13052 185.3
[M]- 340.13162 185.3
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