CID 54689755

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

Structural Information

Molecular Formula
C23H22O5
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C23H22O5/c1-13(2)17-11-5-14(3)19-21(25)20(23(26)28-22(17)19)18(24)12-8-15-6-9-16(27-4)10-7-15/h5-13,25H,1-4H3/b12-8+
InChIKey
LDNCYOMQDSUSFC-XYOKQWHBSA-N
Compound name
4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-methyl-8-propan-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14673 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 189.6
[M+Na]+ 401.13595 198.4
[M-H]- 377.13945 197.2
[M+NH4]+ 396.18055 200.9
[M+K]+ 417.10989 195.0
[M+H-H2O]+ 361.14399 181.1
[M+HCOO]- 423.14493 207.5
[M+CH3COO]- 437.16058 221.2
[M+Na-2H]- 399.12140 189.8
[M]+ 378.14618 195.3
[M]- 378.14728 195.3
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.