CID 487969

2-(4-aminophenyl)sulfonylpyridin-4-amine

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=NC=CC(=C2)N
InChI
InChI=1S/C11H11N3O2S/c12-8-1-3-10(4-2-8)17(15,16)11-7-9(13)5-6-14-11/h1-7H,12H2,(H2,13,14)
InChIKey
RUFQTSXPEKEWFT-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfonylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.064476 152.6
[M+Na]+ 272.046418 161.7
[M-H]- 248.049924 157.8
[M+NH4]+ 267.091023 167.9
[M+K]+ 288.020358 156.5
[M+H-H2O]+ 232.054460 145.1
[M+HCOO]- 294.055401 171.5
[M+CH3COO]- 308.071051 193.4
[M+Na-2H]- 270.031866 157.7
[M]+ 249.05665142 151.6
[M]- 249.05774858 151.6
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.