CID 84219

14130-41-7

Structural Information

Molecular Formula
C20H14N2O5S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)C2=C(C3=C(C(=C2)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H14N2O5S/c21-14-10-15(28(25,26)27-11-6-2-1-3-7-11)18(22)17-16(14)19(23)12-8-4-5-9-13(12)20(17)24/h1-10H,21-22H2
InChIKey
DQTIHYAULLHSID-UHFFFAOYSA-N
Compound name
phenyl 1,4-diamino-9,10-dioxoanthracene-2-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

394.06235 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06963 186.9
[M+Na]+ 417.05157 200.2
[M+NH4]+ 412.09617 193.7
[M+K]+ 433.02551 192.2
[M-H]- 393.05507 191.5
[M+Na-2H]- 415.03702 193.4
[M]+ 394.06180 190.5
[M]- 394.06290 190.5
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.