CID 54689766

6-chloro-4-hydroxy-3-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-7-methyl-chromen-2-one

Structural Information

Molecular Formula
C20H15ClO6
SMILES
CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C(=O)/C=C/C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H15ClO6/c1-10-7-16-12(9-13(10)21)19(24)18(20(25)27-16)15(23)6-4-11-3-5-14(22)17(8-11)26-2/h3-9,22,24H,1-2H3/b6-4+
InChIKey
DJIUZXZWPZEXSD-GQCTYLIASA-N
Compound name
6-chloro-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-7-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.05573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06301 184.8
[M+Na]+ 409.04495 196.3
[M-H]- 385.04845 192.0
[M+NH4]+ 404.08955 196.4
[M+K]+ 425.01889 191.7
[M+H-H2O]+ 369.05299 177.9
[M+HCOO]- 431.05393 199.0
[M+CH3COO]- 445.06958 216.5
[M+Na-2H]- 407.03040 186.5
[M]+ 386.05518 192.8
[M]- 386.05628 192.8
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.