CID 160712

Nordamnacanthal

Structural Information

Molecular Formula
C15H8O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C=O)O
InChI
InChI=1S/C15H8O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-6,17,20H
InChIKey
NSGZEHPFOUCUHD-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

190
Patents

268.03717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.044446 152.9
[M+Na]+ 291.026388 164.3
[M-H]- 267.029894 157.0
[M+NH4]+ 286.070993 170.7
[M+K]+ 307.000328 159.7
[M+H-H2O]+ 251.034430 146.9
[M+HCOO]- 313.035371 171.9
[M+CH3COO]- 327.051021 195.8
[M+Na-2H]- 289.011836 158.6
[M]+ 268.03662142 154.9
[M]- 268.03771858 154.9
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