PubChemLite - Famotidine (C8H15N7O2S3)

Structural Information

Molecular Formula

SMILES

C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N

InChI

InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)

InChIKey

XUFQPHANEAPEMJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	338.05220	167.3
[M+Na]+	360.03414	167.5
[M+NH4]+	355.07874	171.0
[M+K]+	376.00808	163.7
[M-H]-	336.03764	167.6
[M+Na-2H]-	358.01959	167.8
[M]+	337.04437	167.7
[M]-	337.04547	167.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

338.05220

167.3

[M+Na]+

360.03414

167.5

[M+NH4]+

355.07874

171.0

[M+K]+

376.00808

163.7

[M-H]-

336.03764

167.6

[M+Na-2H]-

358.01959

167.8

[M]+

337.04437

167.7

[M]-

337.04547

167.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Famotidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe