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 147.9
[M+Na]+ 252.07772 155.1
[M-H]- 228.08122 150.8
[M+NH4]+ 247.12232 165.1
[M+K]+ 268.05166 151.2
[M+H-H2O]+ 212.08576 141.2
[M+HCOO]- 274.08670 167.7
[M+CH3COO]- 288.10235 194.1
[M+Na-2H]- 250.06317 151.4
[M]+ 229.08795 147.1
[M]- 229.08905 147.1
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.