CID 362336

Nsc625995

Structural Information

Molecular Formula
C22H18O8
SMILES
CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4OC)OC)OC)OC
InChI
InChI=1S/C22H18O8/c1-9-6-10(26-2)7-12-14(9)18(23)17-19(24)15-11(27-3)8-13(28-4)21(29-5)16(15)20(25)22(17)30-12/h6-8H,1-5H3
InChIKey
UHCBRFXJFVFULS-UHFFFAOYSA-N
Compound name
3,7,8,10-tetramethoxy-1-methylbenzo[b]xanthene-6,11,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.10016 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10744 190.6
[M+Na]+ 433.08938 203.0
[M-H]- 409.09288 199.1
[M+NH4]+ 428.13398 203.7
[M+K]+ 449.06332 202.3
[M+H-H2O]+ 393.09742 181.5
[M+HCOO]- 455.09836 208.5
[M+CH3COO]- 469.11401 232.1
[M+Na-2H]- 431.07483 194.6
[M]+ 410.09961 203.3
[M]- 410.10071 203.3
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.