CID 195205

Tcm b3

Structural Information

Molecular Formula
C21H14O8
SMILES
CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4=C(C3=O)C=C(C=C4O)OC)O)C(=O)O
InChI
InChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)
InChIKey
NSKLWYCTXNPUBB-UHFFFAOYSA-N
Compound name
3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

394.06888 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07616 187.9
[M+Na]+ 417.05810 201.6
[M+NH4]+ 412.10270 193.0
[M+K]+ 433.03204 197.3
[M-H]- 393.06160 188.2
[M+Na-2H]- 415.04355 188.3
[M]+ 394.06833 189.8
[M]- 394.06943 189.8
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