CID 135847020

5,8-dihydroxy-6,10-dimethoxy-2-propyl-benzo[g]chromen-4-one

Structural Information

Molecular Formula
C18H18O6
SMILES
CCCC1=CC(=C2C(=C3C(=CC(=O)C=C3OC)C(=C2O1)OC)O)O
InChI
InChI=1S/C18H18O6/c1-4-5-10-8-12(20)15-16(21)14-11(17(23-3)18(15)24-10)6-9(19)7-13(14)22-2/h6-8,20-21H,4-5H2,1-3H3
InChIKey
SDBZMNJRDHLXSW-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-6,10-dimethoxy-2-propylbenzo[g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 173.0
[M+Na]+ 353.09957 185.1
[M-H]- 329.10307 178.3
[M+NH4]+ 348.14417 187.5
[M+K]+ 369.07351 182.7
[M+H-H2O]+ 313.10761 165.7
[M+HCOO]- 375.10855 192.5
[M+CH3COO]- 389.12420 209.5
[M+Na-2H]- 351.08502 178.8
[M]+ 330.10980 182.6
[M]- 330.11090 182.6
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.