CID 5922969

Nsc643189

Structural Information

Molecular Formula
C26H24O5
SMILES
CCOC(=O)/C(=C\C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H24O5/c1-3-30-26(28)22(25(27)21-12-8-5-9-13-21)16-20-14-15-23(24(17-20)29-2)31-18-19-10-6-4-7-11-19/h4-17H,3,18H2,1-2H3/b22-16-
InChIKey
PQDGUFGMFCIZFM-JWGURIENSA-N
Compound name
ethyl (Z)-2-benzoyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.16238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16966 202.0
[M+Na]+ 439.15160 205.7
[M-H]- 415.15510 210.6
[M+NH4]+ 434.19620 210.8
[M+K]+ 455.12554 201.8
[M+H-H2O]+ 399.15964 191.2
[M+HCOO]- 461.16058 221.8
[M+CH3COO]- 475.17623 225.1
[M+Na-2H]- 437.13705 201.1
[M]+ 416.16183 205.9
[M]- 416.16293 205.9
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.