CID 3293883

1565-51-1

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.11142	153.7
[M+Na]+	266.09336	161.7
[M+NH4]+	261.13796	160.1
[M+K]+	282.06730	155.6
[M-H]-	242.09686	155.3
[M+Na-2H]-	264.07881	157.7
[M]+	243.10359	155.4
[M]-	243.10469	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe