CID 617853

N2-formylsulfisomidine

Structural Information

Molecular Formula

C₁₃H₁₄N₄O₃S

SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC=O

InChI

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

InChIKey

LACNPVKUGFOYFW-UHFFFAOYSA-N

Compound name

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 650
Patents: 306.07867 Da
Monoisotopic Mass: 1.1
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]+	307.085946	168.2
[M+Na]+	329.067888	177.1
[M-H]-	305.071394	173.0
[M+NH4]+	324.112493	180.3
[M+K]+	345.041828	171.9
[M+H-H2O]+	289.075930	159.3
[M+HCOO]-	351.076871	186.5
[M+CH3COO]-	365.092521	206.0
[M+Na-2H]-	327.053336	173.8
[M]+	306.07812142	171.2
[M]-	306.07921858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe