CID 3044010
1h-azepino(4,5-b)quinoline, 2,3,4,5-tetrahydro-11-methyl-, 6-oxide, dihydrochloride
Structural Information
- Molecular Formula
- C14H16N2O
- SMILES
- CC1=C2CCNCCC2=[N+](C3=CC=CC=C13)[O-]
- InChI
- InChI=1S/C14H16N2O/c1-10-11-4-2-3-5-13(11)16(17)14-7-9-15-8-6-12(10)14/h2-5,15H,6-9H2,1H3
- InChIKey
- DDJJGSKAZVIYDB-UHFFFAOYSA-N
- Compound name
- 11-methyl-6-oxido-2,3,4,5-tetrahydro-1H-azepino[4,5-b]quinolin-6-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.13355 | 152.4 |
[M+Na]+ | 251.11549 | 166.0 |
[M+NH4]+ | 246.16009 | 161.1 |
[M+K]+ | 267.08943 | 161.4 |
[M-H]- | 227.11899 | 155.6 |
[M+Na-2H]- | 249.10094 | 157.7 |
[M]+ | 228.12572 | 155.3 |
[M]- | 228.12682 | 155.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.