CID 3051955

68178-51-8

Structural Information

Molecular Formula
C20H16O7
SMILES
CC1(C(CC2=C(C3=C(C=C2C1=O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC)O
InChI
InChI=1S/C20H16O7/c1-20(26)13(27-2)7-9-10(19(20)25)6-11-15(17(9)23)18(24)14-8(16(11)22)4-3-5-12(14)21/h3-6,13,21,23,26H,7H2,1-2H3
InChIKey
JYDSLMCACANRIN-UHFFFAOYSA-N
Compound name
2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0896 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 179.6
[M+Na]+ 391.07882 190.4
[M-H]- 367.08232 182.9
[M+NH4]+ 386.12342 195.6
[M+K]+ 407.05276 186.2
[M+H-H2O]+ 351.08686 173.0
[M+HCOO]- 413.08780 191.8
[M+CH3COO]- 427.10345 216.3
[M+Na-2H]- 389.06427 183.2
[M]+ 368.08905 182.0
[M]- 368.09015 182.0
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