CID 57370311
1h,5h-thiepino[3,4-d]carbazole
Structural Information
- Molecular Formula
- C16H13NS
- SMILES
- C1C=CSCC2=CC=CC3=NC4=CC=CC=C4C231
- InChI
- InChI=1S/C16H13NS/c1-2-7-14-13(6-1)16-9-4-10-18-11-12(16)5-3-8-15(16)17-14/h1-8,10H,9,11H2
- InChIKey
- LRTQOYXOVNYBQK-UHFFFAOYSA-N
- Compound name
- 5-thia-12-azatetracyclo[9.7.0.01,7.013,18]octadeca-3,7,9,11,13,15,17-heptaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.08415 | 159.3 |
[M+Na]+ | 274.06609 | 167.9 |
[M-H]- | 250.06959 | 166.2 |
[M+NH4]+ | 269.11069 | 180.8 |
[M+K]+ | 290.04003 | 164.8 |
[M+H-H2O]+ | 234.07413 | 153.6 |
[M+HCOO]- | 296.07507 | 174.2 |
[M+CH3COO]- | 310.09072 | 171.1 |
[M+Na-2H]- | 272.05154 | 164.8 |
[M]+ | 251.07632 | 157.8 |
[M]- | 251.07742 | 157.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.