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]+ 409.164576 196.7
[M+Na]+ 431.146518 205.6
[M-H]- 407.150024 204.5
[M+NH4]+ 426.191123 206.9
[M+K]+ 447.120458 203.1
[M+H-H2O]+ 391.154560 187.9
[M+HCOO]- 453.155501 214.3
[M+CH3COO]- 467.171151 227.8
[M+Na-2H]- 429.131966 195.9
[M]+ 408.15675142 204.7
[M]- 408.15784858 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.