CID 600305
1-hydroxy-2-dodecyl-4(1h)quinolone
Structural Information
- Molecular Formula
- C21H31NO2
- SMILES
- CCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
- InChI
- InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3
- InChIKey
- SBALADRDZPFHLM-UHFFFAOYSA-N
- Compound name
- 2-dodecyl-1-hydroxyquinolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 330.24275 | 183.7 |
[M+Na]+ | 352.22469 | 189.7 |
[M-H]- | 328.22819 | 184.3 |
[M+NH4]+ | 347.26929 | 197.2 |
[M+K]+ | 368.19863 | 183.6 |
[M+H-H2O]+ | 312.23273 | 175.1 |
[M+HCOO]- | 374.23367 | 201.7 |
[M+CH3COO]- | 388.24932 | 211.6 |
[M+Na-2H]- | 350.21014 | 185.9 |
[M]+ | 329.23492 | 188.4 |
[M]- | 329.23602 | 188.4 |