CID 6011292

331460-43-6

Structural Information

Molecular Formula
C21H22O3
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)C(C)(C)C
InChI
InChI=1S/C21H22O3/c1-15-5-10-17(11-6-15)19(22)14-9-16-7-12-18(13-8-16)24-20(23)21(2,3)4/h5-14H,1-4H3/b14-9+
InChIKey
VSSNYNQFARJRGZ-NTEUORMPSA-N
Compound name
[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1569 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16418 177.9
[M+Na]+ 345.14612 191.0
[M+NH4]+ 340.19072 184.5
[M+K]+ 361.12006 184.2
[M-H]- 321.14962 180.7
[M+Na-2H]- 343.13157 185.1
[M]+ 322.15635 180.6
[M]- 322.15745 180.6
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.