CID 54689763

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

Structural Information

Molecular Formula
C20H15ClO5
SMILES
CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C(=O)/C=C/C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C20H15ClO5/c1-11-9-17-14(10-15(11)21)19(23)18(20(24)26-17)16(22)8-5-12-3-6-13(25-2)7-4-12/h3-10,23H,1-2H3/b8-5+
InChIKey
YMHYBCITBKFNNM-VMPITWQZSA-N
Compound name
6-chloro-4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-7-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0608 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06808 182.2
[M+Na]+ 393.05002 193.6
[M-H]- 369.05352 190.3
[M+NH4]+ 388.09462 195.0
[M+K]+ 409.02396 188.7
[M+H-H2O]+ 353.05806 175.0
[M+HCOO]- 415.05900 197.8
[M+CH3COO]- 429.07465 215.0
[M+Na-2H]- 391.03547 184.8
[M]+ 370.06025 190.1
[M]- 370.06135 190.1
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.