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

257
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 196.0
[M+Na]+ 421.14102 200.8
[M-H]- 397.14452 205.2
[M+NH4]+ 416.18562 205.9
[M+K]+ 437.11496 196.3
[M+H-H2O]+ 381.14906 186.0
[M+HCOO]- 443.15000 214.9
[M+CH3COO]- 457.16565 224.5
[M+Na-2H]- 419.12647 193.3
[M]+ 398.15125 197.8
[M]- 398.15235 197.8
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