CID 214696

M-methanesulfonamidomandelamidine monohydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃O₃S

SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(C(=N)N)O

InChI

InChI=1S/C9H13N3O3S/c1-16(14,15)12-7-4-2-3-6(5-7)8(13)9(10)11/h2-5,8,12-13H,1H3,(H3,10,11)

InChIKey

BBFLCDGDRJRARV-UHFFFAOYSA-N

Compound name

2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.06776 Da
Monoisotopic Mass: -0.8
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]+	244.075036	150.5
[M+Na]+	266.056978	155.8
[M-H]-	242.060484	152.2
[M+NH4]+	261.101583	166.0
[M+K]+	282.030918	152.5
[M+H-H2O]+	226.065020	143.8
[M+HCOO]-	288.065961	167.8
[M+CH3COO]-	302.081611	194.3
[M+Na-2H]-	264.042426	153.2
[M]+	243.06721142	147.9
[M]-	243.06830858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe