CID 6448152

Ethyl (e,e)-3-(3-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)phenyl)-2-propenoate

Structural Information

Molecular Formula
C23H24O6
SMILES
CCOC(=O)/C=C/C1=CC(=CC=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C23H24O6/c1-5-29-22(25)12-10-16-7-6-8-18(13-16)19(24)11-9-17-14-20(26-2)23(28-4)21(15-17)27-3/h6-15H,5H2,1-4H3/b11-9+,12-10+
InChIKey
NUSYSERTNLKKKP-WGDLNXRISA-N
Compound name
ethyl (E)-3-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 193.5
[M+Na]+ 419.14652 199.9
[M-H]- 395.15002 199.9
[M+NH4]+ 414.19112 204.6
[M+K]+ 435.12046 196.7
[M+H-H2O]+ 379.15456 184.4
[M+HCOO]- 441.15550 214.7
[M+CH3COO]- 455.17115 222.6
[M+Na-2H]- 417.13197 191.9
[M]+ 396.15675 201.6
[M]- 396.15785 201.6
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

No patent data available for this compound.