CID 6767

3,4-bis(4-acetoxyphenyl)-2,4-hexadiene

Structural Information

Molecular Formula
C22H22O4
SMILES
CC=C(C1=CC=C(C=C1)OC(=O)C)C(=CC)C2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3
InChIKey
YWLLGDVBTLPARJ-UHFFFAOYSA-N
Compound name
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

47
Patents

350.1518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15908 184.0
[M+Na]+ 373.14102 189.0
[M-H]- 349.14452 190.2
[M+NH4]+ 368.18562 196.6
[M+K]+ 389.11496 185.5
[M+H-H2O]+ 333.14906 175.7
[M+HCOO]- 395.15000 203.3
[M+CH3COO]- 409.16565 214.0
[M+Na-2H]- 371.12647 181.8
[M]+ 350.15125 186.8
[M]- 350.15235 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.