CID 6448218

1,2-dimethyl-1,2-ethanediyl 2-methyl-3-phenyl-2-propenoate

Structural Information

Molecular Formula
C24H26O4
SMILES
CC(OC(=O)/C(=C/C1=CC=CC=C1)/C)C(OC(=O)/C(=C/C2=CC=CC=C2)/C)C
InChI
InChI=1S/C24H26O4/c1-17(15-21-11-7-5-8-12-21)23(25)27-19(3)20(4)28-24(26)18(2)16-22-13-9-6-10-14-22/h5-16,19-20H,1-4H3/b17-15+,18-16+
InChIKey
LMLNTJBRBYQSOB-YTEMWHBBSA-N
Compound name
3-[(E)-2-methyl-3-phenylprop-2-enoyl]oxybutan-2-yl (E)-2-methyl-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1831 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19038 191.4
[M+Na]+ 401.17232 201.4
[M+NH4]+ 396.21692 196.2
[M+K]+ 417.14626 196.3
[M-H]- 377.17582 192.9
[M+Na-2H]- 399.15777 196.4
[M]+ 378.18255 192.9
[M]- 378.18365 192.9
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.