CID 5324

Sulfaguanidine

Structural Information

Molecular Formula

C₇H₁₀N₄O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)

InChIKey

BRBKOPJOKNSWSG-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)sulfonylguanidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 291
References: 6994
Patents: 214.05244 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]+	215.059716	142.0
[M+Na]+	237.041658	148.8
[M-H]-	213.045164	145.7
[M+NH4]+	232.086263	159.4
[M+K]+	253.015598	145.7
[M+H-H2O]+	197.049700	134.9
[M+HCOO]-	259.050641	163.4
[M+CH3COO]-	273.066291	193.4
[M+Na-2H]-	235.027106	145.9
[M]+	214.05189142	138.7
[M]-	214.05298858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe