CID 4961678

3-amino-4-(propylamino)benzenesulfonamide

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]+ 230.095776 147.9
[M+Na]+ 252.077718 155.1
[M-H]- 228.081224 150.8
[M+NH4]+ 247.122323 165.1
[M+K]+ 268.051658 151.2
[M+H-H2O]+ 212.085760 141.2
[M+HCOO]- 274.086701 167.7
[M+CH3COO]- 288.102351 194.1
[M+Na-2H]- 250.063166 151.4
[M]+ 229.08795142 147.1
[M]- 229.08904858 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.