CID 6448218

2-propenoic acid, 2-methyl-3-phenyl-, 1,2-dimethyl-1,2-ethanediyl ester

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]+ 379.190376 194.0
[M+Na]+ 401.172318 195.7
[M-H]- 377.175824 199.1
[M+NH4]+ 396.216923 204.6
[M+K]+ 417.146258 192.8
[M+H-H2O]+ 361.180360 185.3
[M+HCOO]- 423.181301 210.6
[M+CH3COO]- 437.196951 219.2
[M+Na-2H]- 399.157766 189.7
[M]+ 378.18255142 195.5
[M]- 378.18364858 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.