CID 5483578
Propyl harmol
Structural Information
- Molecular Formula
- C15H16N2O
- SMILES
- CCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
- InChI
- InChI=1S/C15H16N2O/c1-3-8-18-11-4-5-12-13-6-7-16-10(2)15(13)17-14(12)9-11/h4-7,9,17H,3,8H2,1-2H3
- InChIKey
- ROPQRKIYWVDATM-UHFFFAOYSA-N
- Compound name
- 1-methyl-7-propoxy-9H-pyrido[3,4-b]indole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.13355 | 154.7 |
[M+Na]+ | 263.11549 | 165.7 |
[M-H]- | 239.11899 | 156.9 |
[M+NH4]+ | 258.16009 | 173.5 |
[M+K]+ | 279.08943 | 160.0 |
[M+H-H2O]+ | 223.12353 | 147.2 |
[M+HCOO]- | 285.12447 | 175.2 |
[M+CH3COO]- | 299.14012 | 167.3 |
[M+Na-2H]- | 261.10094 | 161.4 |
[M]+ | 240.12572 | 158.2 |
[M]- | 240.12682 | 158.2 |
Literature stripe
No literature data available for this compound.