CID 495145

Nsc644649

Structural Information

Molecular Formula
C24H34O7
SMILES
CC(C(C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C)C2(CC(CCC2=O)OC)CC=C
InChI
InChI=1S/C24H34O7/c1-8-11-24(14-18(27-4)9-10-21(24)26)15(2)22(31-16(3)25)17-12-19(28-5)23(30-7)20(13-17)29-6/h8,12-13,15,18,22H,1,9-11,14H2,2-7H3
InChIKey
CNQSJNINBFUEMD-UHFFFAOYSA-N
Compound name
[2-(5-methoxy-2-oxo-1-prop-2-enylcyclohexyl)-1-(3,4,5-trimethoxyphenyl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.23044 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23772 200.5
[M+Na]+ 457.21966 204.5
[M-H]- 433.22316 206.1
[M+NH4]+ 452.26426 212.1
[M+K]+ 473.19360 204.2
[M+H-H2O]+ 417.22770 193.1
[M+HCOO]- 479.22864 216.1
[M+CH3COO]- 493.24429 232.6
[M+Na-2H]- 455.20511 196.1
[M]+ 434.22989 207.5
[M]- 434.23099 207.5
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.