CID 54689771

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

Structural Information

Molecular Formula
C22H20O5
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC=C(C=C3)O)O
InChI
InChI=1S/C22H20O5/c1-12(2)16-10-4-13(3)18-20(25)19(22(26)27-21(16)18)17(24)11-7-14-5-8-15(23)9-6-14/h4-12,23,25H,1-3H3/b11-7+
InChIKey
HPNMAXSKVWDOFA-YRNVUSSQSA-N
Compound name
4-hydroxy-3-[(E)-3-(4-hydroxyphenyl)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

364.13107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 185.4
[M+Na]+ 387.12029 194.2
[M-H]- 363.12379 191.9
[M+NH4]+ 382.16489 196.6
[M+K]+ 403.09423 190.3
[M+H-H2O]+ 347.12833 177.4
[M+HCOO]- 409.12927 202.1
[M+CH3COO]- 423.14492 216.1
[M+Na-2H]- 385.10574 185.7
[M]+ 364.13052 189.1
[M]- 364.13162 189.1
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.