CID 3293883

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

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CCCCNC1=C(C=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C10H17N3O2S/c1-2-3-6-13-10-5-4-8(7-9(10)11)16(12,14)15/h4-5,7,13H,2-3,6,11H2,1H3,(H2,12,14,15)
InChIKey
PUQATVLNDHSIGA-UHFFFAOYSA-N
Compound name
3-amino-4-(butylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

243.10414 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.111416 152.2
[M+Na]+ 266.093358 159.0
[M-H]- 242.096864 154.9
[M+NH4]+ 261.137963 168.9
[M+K]+ 282.067298 154.8
[M+H-H2O]+ 226.101400 145.3
[M+HCOO]- 288.102341 171.7
[M+CH3COO]- 302.117991 197.2
[M+Na-2H]- 264.078806 155.2
[M]+ 243.10359142 151.7
[M]- 243.10468858 151.7
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