CID 3035313
1162-23-8
Structural Information
- Molecular Formula
- C17H21N3O2S
- SMILES
- C1CCN(CC1)CCC2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3
- InChI
- InChI=1S/C17H21N3O2S/c21-14-17(13-7-3-1-4-8-13,15(22)19-16(23)18-14)9-12-20-10-5-2-6-11-20/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,19,21,22,23)
- InChIKey
- RUEPUCPXQJFNJA-UHFFFAOYSA-N
- Compound name
- 5-phenyl-5-(2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 332.14272 | 179.0 |
[M+Na]+ | 354.12466 | 183.3 |
[M-H]- | 330.12816 | 180.3 |
[M+NH4]+ | 349.16926 | 189.0 |
[M+K]+ | 370.09860 | 175.9 |
[M+H-H2O]+ | 314.13270 | 169.6 |
[M+HCOO]- | 376.13364 | 184.2 |
[M+CH3COO]- | 390.14929 | 185.6 |
[M+Na-2H]- | 352.11011 | 177.8 |
[M]+ | 331.13489 | 170.5 |
[M]- | 331.13599 | 170.5 |
Literature stripe
No literature data available for this compound.