CID 58150
101018-79-5
Structural Information
- Molecular Formula
- C17H19N3OS
- SMILES
- CN1C(=NC2=C1C3=CC=CC=C3SC2=O)CN4CCCCC4
- InChI
- InChI=1S/C17H19N3OS/c1-19-14(11-20-9-5-2-6-10-20)18-15-16(19)12-7-3-4-8-13(12)22-17(15)21/h3-4,7-8H,2,5-6,9-11H2,1H3
- InChIKey
- XLHLSNWHPWPAOF-UHFFFAOYSA-N
- Compound name
- 1-methyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 314.13216 | 171.8 |
[M+Na]+ | 336.11410 | 182.4 |
[M-H]- | 312.11760 | 176.6 |
[M+NH4]+ | 331.15870 | 187.3 |
[M+K]+ | 352.08804 | 175.8 |
[M+H-H2O]+ | 296.12214 | 163.2 |
[M+HCOO]- | 358.12308 | 184.3 |
[M+CH3COO]- | 372.13873 | 182.6 |
[M+Na-2H]- | 334.09955 | 173.6 |
[M]+ | 313.12433 | 173.8 |
[M]- | 313.12543 | 173.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.