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

literature stripe

Patent stripe

patents stripe