CID 3054840

71795-54-5

Structural Information

Molecular Formula
C13H18N4O2S
SMILES
CCCCN1C=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H18N4O2S/c1-2-3-9-17-10-8-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-8,10H,2-3,9,14H2,1H3,(H,15,16)
InChIKey
CALFWSMWPOXSFD-UHFFFAOYSA-N
Compound name
4-amino-N-(1-butylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11505 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12233 166.6
[M+Na]+ 317.10427 174.7
[M-H]- 293.10777 170.8
[M+NH4]+ 312.14887 181.0
[M+K]+ 333.07821 169.8
[M+H-H2O]+ 277.11231 158.4
[M+HCOO]- 339.11325 185.0
[M+CH3COO]- 353.12890 202.5
[M+Na-2H]- 315.08972 169.3
[M]+ 294.11450 168.6
[M]- 294.11560 168.6
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.