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 178.1
[M+Na]+ 375.04752 192.6
[M+NH4]+ 370.09212 184.2
[M+K]+ 391.02146 187.7
[M-H]- 351.05102 179.0
[M+Na-2H]- 373.03297 179.3
[M]+ 352.05775 180.3
[M]- 352.05885 180.3
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.