CID 71314076

Famotidine disulfide

Structural Information

Molecular Formula
C10H14N8S4
SMILES
C1=C(N=C(S1)N=C(N)N)CSSCC2=CSC(=N2)N=C(N)N
InChI
InChI=1S/C10H14N8S4/c11-7(12)17-9-15-5(1-19-9)3-21-22-4-6-2-20-10(16-6)18-8(13)14/h1-2H,3-4H2,(H4,11,12,15,17)(H4,13,14,16,18)
InChIKey
ZWHJVLVEEDAPHN-UHFFFAOYSA-N
Compound name
2-[4-[[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyldisulfanyl]methyl]-1,3-thiazol-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.02243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02971 170.1
[M+Na]+ 397.01165 177.9
[M-H]- 373.01515 173.0
[M+NH4]+ 392.05625 181.8
[M+K]+ 412.98559 167.7
[M+H-H2O]+ 357.01969 162.0
[M+HCOO]- 419.02063 176.6
[M+CH3COO]- 433.03628 177.8
[M+Na-2H]- 394.99710 171.6
[M]+ 374.02188 166.4
[M]- 374.02298 166.4
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