CID 3077377
134185-27-6
Structural Information
- Molecular Formula
- C18H26N4O5S
- SMILES
- C1CN(CCN1CCCSC2=CC=NC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]
- InChI
- InChI=1S/C18H26N4O5S/c23-22(24)27-16-13-26-17-15(12-25-18(16)17)21-9-7-20(8-10-21)6-1-11-28-14-2-4-19-5-3-14/h2-5,15-18H,1,6-13H2/t15-,16-,17+,18+/m0/s1
- InChIKey
- DIQSGFVQJHNYPB-WNRNVDISSA-N
- Compound name
- [(3S,3aR,6S,6aS)-3-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 411.16966 | 193.0 |
[M+Na]+ | 433.15160 | 194.7 |
[M-H]- | 409.15510 | 199.7 |
[M+NH4]+ | 428.19620 | 200.3 |
[M+K]+ | 449.12554 | 189.7 |
[M+H-H2O]+ | 393.15964 | 188.9 |
[M+HCOO]- | 455.16058 | 201.5 |
[M+CH3COO]- | 469.17623 | 213.4 |
[M+Na-2H]- | 431.13705 | 192.6 |
[M]+ | 410.16183 | 191.2 |
[M]- | 410.16293 | 191.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.