CID 3015518

Sodium 5-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Structural Information

Molecular Formula
C14H9NO5S
SMILES
C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C14H9NO5S/c15-11-3-1-2-9-12(11)14(17)8-5-4-7(21(18,19)20)6-10(8)13(9)16/h1-6H,15H2,(H,18,19,20)
InChIKey
YHEHZMLCNQADSB-UHFFFAOYSA-N
Compound name
5-amino-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

303.02014 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.027416 161.2
[M+Na]+ 326.009358 171.8
[M-H]- 302.012864 165.6
[M+NH4]+ 321.053963 177.8
[M+K]+ 341.983298 166.9
[M+H-H2O]+ 286.017400 155.6
[M+HCOO]- 348.018341 175.9
[M+CH3COO]- 362.033991 202.0
[M+Na-2H]- 323.994806 167.3
[M]+ 303.01959142 163.9
[M]- 303.02068858 163.9
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

patents stripe