CID 20751946

159174-04-6

Structural Information

Molecular Formula
C26H22O4
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(=C)C
InChI
InChI=1S/C26H22O4/c1-17(2)25(27)29-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)30-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKey
QBWDTPISGDUSPA-UHFFFAOYSA-N
Compound name
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

398.1518 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15908 195.3
[M+Na]+ 421.14102 209.6
[M+NH4]+ 416.18562 201.2
[M+K]+ 437.11496 202.4
[M-H]- 397.14452 200.3
[M+Na-2H]- 419.12647 204.0
[M]+ 398.15125 198.7
[M]- 398.15235 198.7
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