CID 106250

67966-88-5

Structural Information

Molecular Formula
C20H14N2O6S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)O)S(=O)(=O)O)N
InChI
InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)
InChIKey
KFBGXLCLNATBFL-UHFFFAOYSA-N
Compound name
1-amino-4-(4-hydroxyanilino)-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

127
Patents

410.05725 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.06453 189.9
[M+Na]+ 433.04647 202.3
[M+NH4]+ 428.09107 195.6
[M+K]+ 449.02041 195.4
[M-H]- 409.04997 193.2
[M+Na-2H]- 431.03192 195.1
[M]+ 410.05670 192.9
[M]- 410.05780 192.9
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