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]+ 349.143446 182.2
[M+Na]+ 371.125388 190.8
[M-H]- 347.128894 189.7
[M+NH4]+ 366.169993 194.6
[M+K]+ 387.099328 186.8
[M+H-H2O]+ 331.133430 174.0
[M+HCOO]- 393.134371 200.3
[M+CH3COO]- 407.150021 214.7
[M+Na-2H]- 369.110836 183.5
[M]+ 348.13562142 185.8
[M]- 348.13671858 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.