CID 84511

Uniblue sodium

Structural Information

Molecular Formula
C22H16N2O7S2
SMILES
C=CS(=O)(=O)C1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
InChI
InChI=1S/C22H16N2O7S2/c1-2-32(27,28)16-10-6-5-9-14(16)24-15-11-17(33(29,30)31)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26/h2-11,24H,1,23H2,(H,29,30,31)
InChIKey
JHOSQNVNNBBDAX-UHFFFAOYSA-N
Compound name
1-amino-4-(2-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

484.0399 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.04718 205.9
[M+Na]+ 507.02912 216.4
[M+NH4]+ 502.07372 209.9
[M+K]+ 523.00306 208.6
[M-H]- 483.03262 207.6
[M+Na-2H]- 505.01457 210.5
[M]+ 484.03935 208.5
[M]- 484.04045 208.5
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.