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 194.0
[M+Na]+ 401.17232 195.7
[M-H]- 377.17582 199.1
[M+NH4]+ 396.21692 204.6
[M+K]+ 417.14626 192.8
[M+H-H2O]+ 361.18036 185.3
[M+HCOO]- 423.18130 210.6
[M+CH3COO]- 437.19695 219.2
[M+Na-2H]- 399.15777 189.7
[M]+ 378.18255 195.5
[M]- 378.18365 195.5
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.