CID 174435

73297-32-2

Structural Information

Molecular Formula
C21H17N3O7S2
SMILES
CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)N
InChI
InChI=1S/C21H17N3O7S2/c1-10-6-7-13(15(8-10)32(23,27)28)24-14-9-16(33(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26/h2-9,24H,22H2,1H3,(H2,23,27,28)(H,29,30,31)
InChIKey
FWNQBBFFKDUDGN-UHFFFAOYSA-N
Compound name
1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.05078 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.05806 205.8
[M+Na]+ 510.04000 215.2
[M+NH4]+ 505.08460 209.5
[M+K]+ 526.01394 208.6
[M-H]- 486.04350 207.9
[M+Na-2H]- 508.02545 209.9
[M]+ 487.05023 208.3
[M]- 487.05133 208.3
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

No patent data available for this compound.