CID 54689760

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

Structural Information

Molecular Formula
C23H22O6
SMILES
CC1=C2C(=C(C(=O)OC2=C(C=C1)C(C)C)C(=O)/C=C/C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C23H22O6/c1-12(2)15-8-5-13(3)19-21(26)20(23(27)29-22(15)19)17(25)10-7-14-6-9-16(24)18(11-14)28-4/h5-12,24,26H,1-4H3/b10-7+
InChIKey
SWCRKRIPWCTKGY-JXMROGBWSA-N
Compound name
4-hydroxy-3-[(E)-3-(4-hydroxy-3-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

394.14163 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 192.6
[M+Na]+ 417.13085 201.5
[M-H]- 393.13435 199.2
[M+NH4]+ 412.17545 202.7
[M+K]+ 433.10479 198.4
[M+H-H2O]+ 377.13889 184.3
[M+HCOO]- 439.13983 209.1
[M+CH3COO]- 453.15548 222.8
[M+Na-2H]- 415.11630 191.8
[M]+ 394.14108 198.5
[M]- 394.14218 198.5
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.