CID 5907102

Nsc643170

Structural Information

Molecular Formula
C20H20O5
SMILES
CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)OC)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H20O5/c1-4-25-20(22)16(19(21)15-8-6-5-7-9-15)12-14-10-11-17(23-2)18(13-14)24-3/h5-13H,4H2,1-3H3/b16-12-
InChIKey
KDSAZSRAGUJYGY-VBKFSLOCSA-N
Compound name
ethyl (Z)-2-benzoyl-3-(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 179.4
[M+Na]+ 363.12029 184.9
[M-H]- 339.12379 185.7
[M+NH4]+ 358.16489 192.3
[M+K]+ 379.09423 182.6
[M+H-H2O]+ 323.12833 170.9
[M+HCOO]- 385.12927 200.4
[M+CH3COO]- 399.14492 211.4
[M+Na-2H]- 361.10574 179.4
[M]+ 340.13052 184.4
[M]- 340.13162 184.4
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.