CID 22916

2786-71-2

Structural Information

Molecular Formula
C20H14N2O5S
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)
InChIKey
OPBOOIFXQHPAPJ-UHFFFAOYSA-N
Compound name
1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

3591
Patents

394.06235 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06963 186.6
[M+Na]+ 417.05157 199.7
[M+NH4]+ 412.09617 193.2
[M+K]+ 433.02551 191.7
[M-H]- 393.05507 190.8
[M+Na-2H]- 415.03702 193.0
[M]+ 394.06180 190.0
[M]- 394.06290 190.0
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