CID 460664

2-amino-5-(4-aminophenyl)sulfonyl-benzenesulfonic acid

Structural Information

Molecular Formula
C12H12N2O5S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C12H12N2O5S2/c13-8-1-3-9(4-2-8)20(15,16)10-5-6-11(14)12(7-10)21(17,18)19/h1-7H,13-14H2,(H,17,18,19)
InChIKey
MKLAYPUIUUVHRE-UHFFFAOYSA-N
Compound name
2-amino-5-(4-aminophenyl)sulfonylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

328.01877 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02605 170.1
[M+Na]+ 351.00799 178.1
[M-H]- 327.01149 174.3
[M+NH4]+ 346.05259 182.3
[M+K]+ 366.98193 171.6
[M+H-H2O]+ 311.01603 163.0
[M+HCOO]- 373.01697 181.7
[M+CH3COO]- 387.03262 203.1
[M+Na-2H]- 348.99344 174.0
[M]+ 328.01822 170.1
[M]- 328.01932 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe