CID 13949559

Famotidine sulfoxide

Structural Information

Molecular Formula

C₈H₁₅N₇O₃S₃

SMILES

C1=C(N=C(S1)N=C(N)N)CS(=O)CC/C(=N/S(=O)(=O)N)/N

InChI

InChI=1S/C8H15N7O3S3/c9-6(15-21(12,17)18)1-2-20(16)4-5-3-19-8(13-5)14-7(10)11/h3H,1-2,4H2,(H2,9,15)(H2,12,17,18)(H4,10,11,13,14)

InChIKey

LAZSSGBZNCVJCB-UHFFFAOYSA-N

Compound name

3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 353.03986 Da
Monoisotopic Mass: -2.1
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]+	354.047136	171.9
[M+Na]+	376.029078	175.3
[M-H]-	352.032584	172.3
[M+NH4]+	371.073683	182.7
[M+K]+	392.003018	168.8
[M+H-H2O]+	336.037120	162.6
[M+HCOO]-	398.038061	180.6
[M+CH3COO]-	412.053711	222.3
[M+Na-2H]-	374.014526	172.7
[M]+	353.03931142	167.8
[M]-	353.04040858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.