CID 95823

6337-43-5

Structural Information

Molecular Formula
C22H26O8
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C22H26O8/c1-5-27-19(23)17(20(24)28-6-2)13-15-9-11-16(12-10-15)14-18(21(25)29-7-3)22(26)30-8-4/h9-14H,5-8H2,1-4H3
InChIKey
YUOKTNQLLUHUEK-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)phenyl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

418.16278 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17006 195.3
[M+Na]+ 441.15200 201.3
[M+NH4]+ 436.19660 208.9
[M+K]+ 457.12594 199.5
[M-H]- 417.15550 191.3
[M+Na-2H]- 439.13745 194.5
[M]+ 418.16223 194.2
[M]- 418.16333 194.2
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

patents stripe