CID 4961678

3-amino-4-(propylamino)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CCCNC1=C(C=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C9H15N3O2S/c1-2-5-12-9-4-3-7(6-8(9)10)15(11,13)14/h3-4,6,12H,2,5,10H2,1H3,(H2,11,13,14)
InChIKey
USCROWLUNBPKGW-UHFFFAOYSA-N
Compound name
3-amino-4-(propylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0885 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 149.4
[M+Na]+ 252.07772 157.6
[M+NH4]+ 247.12232 156.0
[M+K]+ 268.05166 151.8
[M-H]- 228.08122 151.1
[M+Na-2H]- 250.06317 153.7
[M]+ 229.08795 151.1
[M]- 229.08905 151.1
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.