CID 125152

64845-67-6

Structural Information

Molecular Formula
C19H12O6
SMILES
COC1=CC=CC2=C1C(=O)C3=C(C4=C(C=C(C=C4)O)C(=C3C2=O)O)O
InChI
InChI=1S/C19H12O6/c1-25-12-4-2-3-10-13(12)19(24)15-14(17(10)22)18(23)11-7-8(20)5-6-9(11)16(15)21/h2-7,20-21,23H,1H3
InChIKey
HVWINTHXQUZYHP-UHFFFAOYSA-N
Compound name
6,8,11-trihydroxy-1-methoxytetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

336.0634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07068 174.0
[M+Na]+ 359.05262 189.4
[M+NH4]+ 354.09722 181.4
[M+K]+ 375.02656 182.9
[M-H]- 335.05612 176.2
[M+Na-2H]- 357.03807 177.3
[M]+ 336.06285 176.8
[M]- 336.06395 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe