CID 101606
Isooctylhydrocupreine
Structural Information
- Molecular Formula
- C27H40N2O2
- SMILES
- CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCCCCCC(C)C)O
- InChI
- InChI=1S/C27H40N2O2/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3
- InChIKey
- DIOGDSVVUWNLHM-UHFFFAOYSA-N
- Compound name
- (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(6-methylheptoxy)quinolin-4-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 425.31628 | 209.2 |
[M+Na]+ | 447.29822 | 208.1 |
[M-H]- | 423.30172 | 203.5 |
[M+NH4]+ | 442.34282 | 220.4 |
[M+K]+ | 463.27216 | 202.6 |
[M+H-H2O]+ | 407.30626 | 198.6 |
[M+HCOO]- | 469.30720 | 209.7 |
[M+CH3COO]- | 483.32285 | 212.0 |
[M+Na-2H]- | 445.28367 | 211.1 |
[M]+ | 424.30845 | 211.3 |
[M]- | 424.30955 | 211.3 |
Literature stripe
No literature data available for this compound.