CID 24987875
Abt-126
Structural Information
- Molecular Formula
- C17H19N3OS
- SMILES
- C1C2CC3CN(C2)CC1C3OC4=NN=C(S4)C5=CC=CC=C5
- InChI
- InChI=1S/C17H19N3OS/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13/h1-5,11,13-15H,6-10H2
- InChIKey
- QZDCYUCETTWCMO-UHFFFAOYSA-N
- Compound name
- 2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-phenyl-1,3,4-thiadiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 314.13216 | 161.1 |
[M+Na]+ | 336.11410 | 164.8 |
[M-H]- | 312.11760 | 158.9 |
[M+NH4]+ | 331.15870 | 179.1 |
[M+K]+ | 352.08804 | 161.1 |
[M+H-H2O]+ | 296.12214 | 152.7 |
[M+HCOO]- | 358.12308 | 163.3 |
[M+CH3COO]- | 372.13873 | 168.8 |
[M+Na-2H]- | 334.09955 | 168.4 |
[M]+ | 313.12433 | 164.8 |
[M]- | 313.12543 | 164.8 |