CID 80359

6222-65-7

Structural Information

Molecular Formula
C20H15N3O5S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N)S(=O)(=O)O)N
InChI
InChI=1S/C20H15N3O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)
InChIKey
ZCQMYMXRGJWSHH-UHFFFAOYSA-N
Compound name
1-amino-4-(4-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

409.07324 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08052 190.2
[M+Na]+ 432.06246 202.0
[M+NH4]+ 427.10706 196.0
[M+K]+ 448.03640 194.9
[M-H]- 408.06596 194.5
[M+Na-2H]- 430.04791 195.7
[M]+ 409.07269 193.3
[M]- 409.07379 193.3
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