CID 42723
Elliptinium
Structural Information
- Molecular Formula
- C18H17N2O
- SMILES
- CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C
- InChI
- InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
- InChIKey
- YZQRAQOSAPWELU-UHFFFAOYSA-O
- Compound name
- 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 278.14138 | 162.2 |
[M+Na]+ | 300.12332 | 182.3 |
[M+NH4]+ | 295.16792 | 172.9 |
[M+K]+ | 316.09726 | 175.7 |
[M-H]- | 276.12682 | 167.4 |
[M+Na-2H]- | 298.10877 | 169.8 |
[M]+ | 277.13355 | 167.3 |
[M]- | 277.13465 | 167.3 |