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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.04714 171.9
[M+Na]+ 376.02908 175.3
[M-H]- 352.03258 172.3
[M+NH4]+ 371.07368 182.7
[M+K]+ 392.00302 168.8
[M+H-H2O]+ 336.03712 162.6
[M+HCOO]- 398.03806 180.6
[M+CH3COO]- 412.05371 222.3
[M+Na-2H]- 374.01453 172.7
[M]+ 353.03931 167.8
[M]- 353.04041 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.