CID 170456302

4-amino-n-(1-hydroxy-6-methylpyrimidin-2-ylidene)benzenesulfonamide

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₃S

SMILES

CC1=CC=NC(=NS(=O)(=O)C2=CC=C(C=C2)N)N1O

InChI

InChI=1S/C11H12N4O3S/c1-8-6-7-13-11(15(8)16)14-19(17,18)10-4-2-9(12)3-5-10/h2-7,16H,12H2,1H3

InChIKey

FLUAEPFKAADEAK-UHFFFAOYSA-N

Compound name

4-amino-N-(1-hydroxy-6-methylpyrimidin-2-ylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.06302 Da
Monoisotopic Mass: 0.1
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]+	281.070296	160.7
[M+Na]+	303.052238	170.7
[M-H]-	279.055744	165.4
[M+NH4]+	298.096843	173.8
[M+K]+	319.026178	165.6
[M+H-H2O]+	263.060280	152.4
[M+HCOO]-	325.061221	179.1
[M+CH3COO]-	339.076871	198.9
[M+Na-2H]-	301.037686	166.2
[M]+	280.06247142	162.0
[M]-	280.06356858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.