CID 54689756

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

Structural Information

Molecular Formula
C28H24O5
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4)O
InChI
InChI=1S/C28H24O5/c1-17(2)22-14-12-18(3)24-26(30)25(28(31)33-27(22)24)23(29)15-13-19-8-7-11-21(16-19)32-20-9-5-4-6-10-20/h4-17,30H,1-3H3/b15-13+
InChIKey
LWMLLDHKAHBLCC-FYWRMAATSA-N
Compound name
4-hydroxy-5-methyl-3-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]-8-propan-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.16238 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16966 208.6
[M+Na]+ 463.15160 216.1
[M-H]- 439.15510 218.8
[M+NH4]+ 458.19620 216.4
[M+K]+ 479.12554 211.7
[M+H-H2O]+ 423.15964 197.9
[M+HCOO]- 485.16058 225.7
[M+CH3COO]- 499.17623 232.2
[M+Na-2H]- 461.13705 208.1
[M]+ 440.16183 213.0
[M]- 440.16293 213.0
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.