CID 81758

7324-87-0

Structural Information

Molecular Formula
C16H20O6
SMILES
CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)OCC
InChI
InChI=1S/C16H20O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-10H,5-6H2,1-4H3
InChIKey
SDKURJSMAYMSOF-UHFFFAOYSA-N
Compound name
diethyl 2-[(2,5-dimethoxyphenyl)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.12598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13326 170.0
[M+Na]+ 331.11520 179.6
[M+NH4]+ 326.15980 174.4
[M+K]+ 347.08914 175.7
[M-H]- 307.11870 168.8
[M+Na-2H]- 329.10065 172.5
[M]+ 308.12543 170.6
[M]- 308.12653 170.6
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