CID 54689761

3-[(e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-hydroxy-8-isopropyl-5-methyl-chromen-2-one

Structural Information

Molecular Formula
C24H24O6
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)O
InChI
InChI=1S/C24H24O6/c1-13(2)16-9-6-14(3)20-22(26)21(24(27)30-23(16)20)17(25)10-7-15-8-11-18(28-4)19(12-15)29-5/h6-13,26H,1-5H3/b10-7+
InChIKey
GYYLVVFOCXRUGO-JXMROGBWSA-N
Compound name
3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-hydroxy-5-methyl-8-propan-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1573 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16458 196.7
[M+Na]+ 431.14652 205.6
[M-H]- 407.15002 204.5
[M+NH4]+ 426.19112 206.9
[M+K]+ 447.12046 203.1
[M+H-H2O]+ 391.15456 187.9
[M+HCOO]- 453.15550 214.3
[M+CH3COO]- 467.17115 227.8
[M+Na-2H]- 429.13197 195.9
[M]+ 408.15675 204.7
[M]- 408.15785 204.7
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.