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

10
Patents

243.10414 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 152.2
[M+Na]+ 266.09336 159.0
[M-H]- 242.09686 154.9
[M+NH4]+ 261.13796 168.9
[M+K]+ 282.06730 154.8
[M+H-H2O]+ 226.10140 145.3
[M+HCOO]- 288.10234 171.7
[M+CH3COO]- 302.11799 197.2
[M+Na-2H]- 264.07881 155.2
[M]+ 243.10359 151.7
[M]- 243.10469 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