CID 3063714
1-(2-(benzyl(cyclohexylmethyl)amino)ethyl)-1-methyl-piperidinium bromide
Structural Information
- Molecular Formula
- C22H37N2
- SMILES
- C[N+]1(CCCCC1)CCN(CC2CCCCC2)CC3=CC=CC=C3
- InChI
- InChI=1S/C22H37N2/c1-24(16-9-4-10-17-24)18-15-23(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22/h2,5-6,11-12,22H,3-4,7-10,13-20H2,1H3/q+1
- InChIKey
- ZLGHFBBMXCNORP-UHFFFAOYSA-N
- Compound name
- N-benzyl-N-(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-1-yl)ethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 330.30298 | 186.2 |
[M+Na]+ | 352.28492 | 184.1 |
[M-H]- | 328.28842 | 192.4 |
[M+NH4]+ | 347.32952 | 199.3 |
[M+K]+ | 368.25886 | 174.7 |
[M+H-H2O]+ | 312.29296 | 177.6 |
[M+HCOO]- | 374.29390 | 200.1 |
[M+CH3COO]- | 388.30955 | 207.8 |
[M+Na-2H]- | 350.27037 | 188.7 |
[M]+ | 329.29515 | 176.2 |
[M]- | 329.29625 | 176.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.