CID 379539

19-hydroxy-8-o-methyltetrangulol

Structural Information

Molecular Formula
C20H14O5
SMILES
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CO)O
InChI
InChI=1S/C20H14O5/c1-25-15-4-2-3-12-17(15)19(23)13-6-5-11-7-10(9-21)8-14(22)16(11)18(13)20(12)24/h2-8,21-22H,9H2,1H3
InChIKey
IWDFTRSGZDSLDE-UHFFFAOYSA-N
Compound name
1-hydroxy-3-(hydroxymethyl)-8-methoxybenzo[a]anthracene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.08414 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09142 173.5
[M+Na]+ 357.07336 184.1
[M-H]- 333.07686 178.1
[M+NH4]+ 352.11796 189.4
[M+K]+ 373.04730 178.8
[M+H-H2O]+ 317.08140 165.9
[M+HCOO]- 379.08234 189.9
[M+CH3COO]- 393.09799 184.6
[M+Na-2H]- 355.05881 178.7
[M]+ 334.08359 176.7
[M]- 334.08469 176.7
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.