CID 3071473
137052-84-7
Structural Information
- Molecular Formula
- C19H18N2S
- SMILES
- C1CC2=C(C1)SC3=C2CNC(C4=CC=CN43)C5=CC=CC=C5
- InChI
- InChI=1S/C19H18N2S/c1-2-6-13(7-3-1)18-16-9-5-11-21(16)19-15(12-20-18)14-8-4-10-17(14)22-19/h1-3,5-7,9,11,18,20H,4,8,10,12H2
- InChIKey
- MSYVDIVUDJELJJ-UHFFFAOYSA-N
- Compound name
- 7-phenyl-16-thia-2,8-diazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,11(15)-tetraene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.12636 | 175.6 |
[M+Na]+ | 329.10830 | 185.5 |
[M-H]- | 305.11180 | 184.2 |
[M+NH4]+ | 324.15290 | 195.6 |
[M+K]+ | 345.08224 | 181.1 |
[M+H-H2O]+ | 289.11634 | 170.8 |
[M+HCOO]- | 351.11728 | 190.1 |
[M+CH3COO]- | 365.13293 | 186.8 |
[M+Na-2H]- | 327.09375 | 173.7 |
[M]+ | 306.11853 | 174.8 |
[M]- | 306.11963 | 174.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.