CID 6011291

4-[(1e)-3-(4-methylphenyl)-3-oxo-1-propenyl]phenyl phenylacetate

Structural Information

Molecular Formula
C24H20O3
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H20O3/c1-18-7-12-21(13-8-18)23(25)16-11-19-9-14-22(15-10-19)27-24(26)17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+
InChIKey
HMDSITHVMQXXKU-LFIBNONCSA-N
Compound name
[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14124 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14852 187.1
[M+Na]+ 379.13046 192.5
[M-H]- 355.13396 196.1
[M+NH4]+ 374.17506 198.8
[M+K]+ 395.10440 186.9
[M+H-H2O]+ 339.13850 177.1
[M+HCOO]- 401.13944 208.4
[M+CH3COO]- 415.15509 214.3
[M+Na-2H]- 377.11591 188.2
[M]+ 356.14069 188.2
[M]- 356.14179 188.2
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.