CID 370636

Nsc643978

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
InChI
InChI=1S/C17H16O6/c1-19-9-5-6-12-10(7-9)14(18)11-8-13(20-2)16(21-3)17(22-4)15(11)23-12/h5-8H,1-4H3
InChIKey
QPTYQJBRCIANSR-UHFFFAOYSA-N
Compound name
2,3,4,7-tetramethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 167.2
[M+Na]+ 339.08392 179.9
[M-H]- 315.08742 175.1
[M+NH4]+ 334.12852 183.5
[M+K]+ 355.05786 179.2
[M+H-H2O]+ 299.09196 159.4
[M+HCOO]- 361.09290 190.2
[M+CH3COO]- 375.10855 209.6
[M+Na-2H]- 337.06937 175.1
[M]+ 316.09415 179.6
[M]- 316.09525 179.6
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.