CID 46874

Aniline, 4-taurylsulfamoyl-

Structural Information

Molecular Formula
C8H13N3O4S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NS(=O)(=O)CCN
InChI
InChI=1S/C8H13N3O4S2/c9-5-6-16(12,13)11-17(14,15)8-3-1-7(10)2-4-8/h1-4,11H,5-6,9-10H2
InChIKey
GFUFPSDLEXMHMI-UHFFFAOYSA-N
Compound name
4-amino-N-(2-aminoethylsulfonyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.03476 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04204 157.4
[M+Na]+ 302.02398 163.8
[M-H]- 278.02748 159.0
[M+NH4]+ 297.06858 171.7
[M+K]+ 317.99792 158.3
[M+H-H2O]+ 262.03202 150.3
[M+HCOO]- 324.03296 170.7
[M+CH3COO]- 338.04861 197.8
[M+Na-2H]- 300.00943 161.9
[M]+ 279.03421 156.9
[M]- 279.03531 156.9
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