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

132
Patents

268.03717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04445 152.9
[M+Na]+ 291.02639 164.3
[M-H]- 267.02989 157.0
[M+NH4]+ 286.07099 170.7
[M+K]+ 307.00033 159.7
[M+H-H2O]+ 251.03443 146.9
[M+HCOO]- 313.03537 171.9
[M+CH3COO]- 327.05102 195.8
[M+Na-2H]- 289.01184 158.6
[M]+ 268.03662 154.9
[M]- 268.03772 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.