CID 44257520

Abruquinone c

Structural Information

Molecular Formula
C19H20O8
SMILES
COC1=C(C=C2CC(COC2=C1OC)C3=CC(=O)C(=C(C3=O)OC)OC)O
InChI
InChI=1S/C19H20O8/c1-23-16-13(21)7-11(14(22)18(16)25-3)10-5-9-6-12(20)17(24-2)19(26-4)15(9)27-8-10/h6-7,10,20H,5,8H2,1-4H3
InChIKey
JUJPNIDLVJQYEY-UHFFFAOYSA-N
Compound name
5-(6-hydroxy-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1158 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12308 182.1
[M+Na]+ 399.10502 191.0
[M-H]- 375.10852 189.9
[M+NH4]+ 394.14962 193.7
[M+K]+ 415.07896 190.9
[M+H-H2O]+ 359.11306 173.9
[M+HCOO]- 421.11400 199.3
[M+CH3COO]- 435.12965 219.7
[M+Na-2H]- 397.09047 183.5
[M]+ 376.11525 189.6
[M]- 376.11635 189.6
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.