CID 3063390
4-(n-cyclopentylaminomethyl)-1(3),4,6,7-tetrahydro-1(3h)-thiopyrano(3,4-d)imidazole fumarate
Structural Information
- Molecular Formula
- C12H17N3OS4
- SMILES
- C1CCC(C1)NCC2(C3=C(C(=C(O2)S)S)N(C=N3)S)S
- InChI
- InChI=1S/C12H17N3OS4/c17-9-8-10(14-6-15(8)20)12(19,16-11(9)18)5-13-7-3-1-2-4-7/h6-7,13,17-20H,1-5H2
- InChIKey
- KZQXOUPAMJWVBG-UHFFFAOYSA-N
- Compound name
- 4-[(cyclopentylamino)methyl]-1-sulfanylpyrano[3,4-d]imidazole-4,6,7-trithiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 348.03273 | 168.1 |
[M+Na]+ | 370.01467 | 179.0 |
[M-H]- | 346.01817 | 171.8 |
[M+NH4]+ | 365.05927 | 184.9 |
[M+K]+ | 385.98861 | 172.8 |
[M+H-H2O]+ | 330.02271 | 165.7 |
[M+HCOO]- | 392.02365 | 167.5 |
[M+CH3COO]- | 406.03930 | 177.8 |
[M+Na-2H]- | 368.00012 | 168.5 |
[M]+ | 347.02490 | 169.2 |
[M]- | 347.02600 | 169.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.