CID 68933

Sulfaperin

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₂S

SMILES

CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)

InChIKey

DZQVFHSCSRACSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 32
References: 3143
Patents: 264.06808 Da
Monoisotopic Mass: 0.3
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]+	265.07536	156.9
[M+Na]+	287.05730	166.0
[M-H]-	263.06080	161.2
[M+NH4]+	282.10190	170.5
[M+K]+	303.03124	160.8
[M+H-H2O]+	247.06534	148.6
[M+HCOO]-	309.06628	175.0
[M+CH3COO]-	323.08193	196.8
[M+Na-2H]-	285.04275	163.0
[M]+	264.06753	157.2
[M]-	264.06863	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe