CID 13359055
Famotidine dimer
Structural Information
- Molecular Formula
- C16H23N11O2S5
- SMILES
- C1=C(N=C(S1)N=C(N)N)CSCCC2=NS(=O)(=O)N=C(N2)CCSCC3=CSC(=N3)N=C(N)N
- InChI
- InChI=1S/C16H23N11O2S5/c17-13(18)24-15-21-9(7-32-15)5-30-3-1-11-23-12(27-34(28,29)26-11)2-4-31-6-10-8-33-16(22-10)25-14(19)20/h7-8H,1-6H2,(H,23,26,27)(H4,17,18,21,24)(H4,19,20,22,25)
- InChIKey
- NRRXZFHNRLQONH-UHFFFAOYSA-N
- Compound name
- 2-[4-[2-[5-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-yl]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 562.07124 | 198.2 |
[M+Na]+ | 584.05318 | 205.1 |
[M-H]- | 560.05668 | 197.2 |
[M+NH4]+ | 579.09778 | 200.4 |
[M+K]+ | 600.02712 | 190.8 |
[M+H-H2O]+ | 544.06122 | 193.7 |
[M+HCOO]- | 606.06216 | 195.2 |
[M+CH3COO]- | 620.07781 | 201.0 |
[M+Na-2H]- | 582.03863 | 205.3 |
[M]+ | 561.06341 | 192.5 |
[M]- | 561.06451 | 192.5 |