CID 54679310

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

Structural Information

Molecular Formula
C22H20O4
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC=CC=C3)O
InChI
InChI=1S/C22H20O4/c1-13(2)16-11-9-14(3)18-20(24)19(22(25)26-21(16)18)17(23)12-10-15-7-5-4-6-8-15/h4-13,24H,1-3H3/b12-10+
InChIKey
GDHMWACAVZUVCF-ZRDIBKRKSA-N
Compound name
4-hydroxy-5-methyl-3-[(E)-3-phenylprop-2-enoyl]-8-propan-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14345 182.2
[M+Na]+ 371.12539 190.8
[M-H]- 347.12889 189.7
[M+NH4]+ 366.16999 194.6
[M+K]+ 387.09933 186.8
[M+H-H2O]+ 331.13343 174.0
[M+HCOO]- 393.13437 200.3
[M+CH3COO]- 407.15002 214.7
[M+Na-2H]- 369.11084 183.5
[M]+ 348.13562 185.8
[M]- 348.13672 185.8
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.