CID 5702160

Famotidine

Structural Information

Molecular Formula
C8H15N7O2S3
SMILES
C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=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

compound 2d structure
9
Annotation Hits

2221
References

51865
Patents

337.04492 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05220 167.2
[M+Na]+ 360.03414 171.3
[M-H]- 336.03764 167.7
[M+NH4]+ 355.07874 179.0
[M+K]+ 376.00808 164.3
[M+H-H2O]+ 320.04218 157.9
[M+HCOO]- 382.04312 176.6
[M+CH3COO]- 396.05877 219.9
[M+Na-2H]- 358.01959 168.4
[M]+ 337.04437 163.1
[M]- 337.04547 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.