CID 3019324

83796-63-8

Structural Information

Molecular Formula

C₁₃H₁₄N₄O₃S

SMILES

CC1=NC(=NC=C1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H14N4O3S/c1-9-7-8-15-13(16-9)17(10(2)18)21(19,20)12-5-3-11(14)4-6-12/h3-8H,14H2,1-2H3

InChIKey

PNCRSWYMHUDTAY-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonyl-N-(4-methylpyrimidin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 306.07867 Da
Monoisotopic Mass: 0.7
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]+	307.085946	167.9
[M+Na]+	329.067888	175.8
[M-H]-	305.071394	173.5
[M+NH4]+	324.112493	180.1
[M+K]+	345.041828	172.4
[M+H-H2O]+	289.075930	159.0
[M+HCOO]-	351.076871	185.2
[M+CH3COO]-	365.092521	207.6
[M+Na-2H]-	327.053336	171.6
[M]+	306.07812142	170.2
[M]-	306.07921858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe