CID 39354313

4-amino-n-(5-butoxy-2-pyrimidinyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃S

SMILES

CCCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H18N4O3S/c1-2-3-8-21-12-9-16-14(17-10-12)18-22(19,20)13-6-4-11(15)5-7-13/h4-7,9-10H,2-3,8,15H2,1H3,(H,16,17,18)

InChIKey

GSFQJPLGVOTORF-UHFFFAOYSA-N

Compound name

4-amino-N-(5-butoxypyrimidin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.10995 Da
Monoisotopic Mass: 1.7
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]+	323.117226	172.4
[M+Na]+	345.099168	179.8
[M-H]-	321.102674	176.1
[M+NH4]+	340.143773	183.4
[M+K]+	361.073108	174.6
[M+H-H2O]+	305.107210	163.2
[M+HCOO]-	367.108151	189.8
[M+CH3COO]-	381.123801	208.0
[M+Na-2H]-	343.084616	177.4
[M]+	322.10940142	175.1
[M]-	322.11049858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe