CID 10360632

Bm-2419-2

Structural Information

Molecular Formula
C19H12O7
SMILES
CC1=C2C=C(C=C(C2=C(C3=C1C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)O)O
InChI
InChI=1S/C19H12O7/c1-6-9-2-7(20)4-11(22)14(9)18(25)16-13(6)17(24)10-3-8(21)5-12(23)15(10)19(16)26/h2-5,20-23,25H,1H3
InChIKey
QPTIGEXZMBTRSE-UHFFFAOYSA-N
Compound name
1,3,8,10,11-pentahydroxy-6-methyltetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.0583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06558 176.1
[M+Na]+ 375.04752 187.7
[M-H]- 351.05102 177.9
[M+NH4]+ 370.09212 189.7
[M+K]+ 391.02146 182.9
[M+H-H2O]+ 335.05556 169.9
[M+HCOO]- 397.05650 188.3
[M+CH3COO]- 411.07215 211.5
[M+Na-2H]- 373.03297 179.1
[M]+ 352.05775 178.3
[M]- 352.05885 178.3
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

No patent data available for this compound.