CID 3078209
Brn 5985837
Structural Information
- Molecular Formula
- C18H19N3OS
- SMILES
- C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)CC4=CC=CC=C4)N
- InChI
- InChI=1S/C18H19N3OS/c19-21-15(11-12-7-3-1-4-8-12)20-17-16(18(21)22)13-9-5-2-6-10-14(13)23-17/h1,3-4,7-8H,2,5-6,9-11,19H2
- InChIKey
- ZGALIQYPWPFFLR-UHFFFAOYSA-N
- Compound name
- 4-amino-5-benzyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 326.13216 | 177.5 |
[M+Na]+ | 348.11410 | 186.4 |
[M-H]- | 324.11760 | 184.8 |
[M+NH4]+ | 343.15870 | 192.5 |
[M+K]+ | 364.08804 | 183.8 |
[M+H-H2O]+ | 308.12214 | 170.1 |
[M+HCOO]- | 370.12308 | 192.4 |
[M+CH3COO]- | 384.13873 | 187.9 |
[M+Na-2H]- | 346.09955 | 179.2 |
[M]+ | 325.12433 | 176.1 |
[M]- | 325.12543 | 176.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.