CID 12760738

Famotidine propanamide

Structural Information

Molecular Formula
C8H13N5OS2
SMILES
C1=C(N=C(S1)N=C(N)N)CSCCC(=O)N
InChI
InChI=1S/C8H13N5OS2/c9-6(14)1-2-15-3-5-4-16-8(12-5)13-7(10)11/h4H,1-3H2,(H2,9,14)(H4,10,11,12,13)
InChIKey
BLXXXPVCYVHTQA-UHFFFAOYSA-N
Compound name
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

259.05615 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06343 152.7
[M+Na]+ 282.04537 158.3
[M-H]- 258.04887 154.3
[M+NH4]+ 277.08997 168.8
[M+K]+ 298.01931 153.7
[M+H-H2O]+ 242.05341 144.5
[M+HCOO]- 304.05435 167.3
[M+CH3COO]- 318.07000 202.6
[M+Na-2H]- 280.03082 151.2
[M]+ 259.05560 151.1
[M]- 259.05670 151.1
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

patents stripe