CID 324094

6-methoxycomaparvin 5-methyl ether

Structural Information

Molecular Formula
C19H20O6
SMILES
CCCC1=CC(=C2C(=C3C(=CC(=O)C=C3OC)C(=C2OC)OC)O1)O
InChI
InChI=1S/C19H20O6/c1-5-6-11-9-13(21)16-18(25-11)15-12(17(23-3)19(16)24-4)7-10(20)8-14(15)22-2/h7-9,21H,5-6H2,1-4H3
InChIKey
YSMPFBOGYPVYFM-UHFFFAOYSA-N
Compound name
4-hydroxy-5,6,10-trimethoxy-2-propylbenzo[h]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

344.12598 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.4
[M+Na]+ 367.11520 189.5
[M-H]- 343.11870 183.8
[M+NH4]+ 362.15980 192.0
[M+K]+ 383.08914 187.7
[M+H-H2O]+ 327.12324 169.5
[M+HCOO]- 389.12418 198.0
[M+CH3COO]- 403.13983 214.6
[M+Na-2H]- 365.10065 183.0
[M]+ 344.12543 189.1
[M]- 344.12653 189.1
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.