CID 92069

56222-83-4

Structural Information

Molecular Formula
C27H20N2O7S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)OC5=CC=CC=C5
InChI
InChI=1S/C27H20N2O7S2/c1-16-11-13-18(14-12-16)37(32,33)29-21-15-22(38(34,35)36-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3
InChIKey
XRCIHAXFOYOKAF-UHFFFAOYSA-N
Compound name
phenyl 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.07117 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.07845 220.3
[M+Na]+ 571.06039 233.2
[M+NH4]+ 566.10499 225.3
[M+K]+ 587.03433 223.7
[M-H]- 547.06389 225.5
[M+Na-2H]- 569.04584 228.6
[M]+ 548.07062 224.6
[M]- 548.07172 224.6
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.