CID 139595281

Ns00005092

Structural Information

Molecular Formula
C24H30O3
SMILES
CC(C)CC1=CC=C(C=C1)C(C)COC(=C)[C@H](C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C24H30O3/c1-17(2)15-21-11-13-22(14-12-21)18(3)16-26-19(4)24(27-20(5)25)23-9-7-6-8-10-23/h6-14,17-18,24H,4,15-16H2,1-3,5H3/t18?,24-/m1/s1
InChIKey
HQSCAWJZEVTTEA-VCUSLETLSA-N
Compound name
[(1S)-2-[2-[4-(2-methylpropyl)phenyl]propoxy]-1-phenylprop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.21948 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.226756 192.9
[M+Na]+ 389.208698 195.1
[M-H]- 365.212204 198.1
[M+NH4]+ 384.253303 204.4
[M+K]+ 405.182638 192.1
[M+H-H2O]+ 349.216740 184.1
[M+HCOO]- 411.217681 209.8
[M+CH3COO]- 425.233331 221.0
[M+Na-2H]- 387.194146 188.9
[M]+ 366.21893142 195.6
[M]- 366.22002858 195.6
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.