CID 3075994
N-methyl-2-(2-hydroxy-5-methoxy-4-(pentylthio)phenyl)-3-methylbutylamine maleate
Structural Information
- Molecular Formula
- C18H31NO2S
- SMILES
- CCCCCSC1=C(C=C(C(=C1)O)C(CNC)C(C)C)OC
- InChI
- InChI=1S/C18H31NO2S/c1-6-7-8-9-22-18-11-16(20)14(10-17(18)21-5)15(12-19-4)13(2)3/h10-11,13,15,19-20H,6-9,12H2,1-5H3
- InChIKey
- GBWZKWXAMNEFFC-UHFFFAOYSA-N
- Compound name
- 4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 326.21483 | 180.6 |
[M+Na]+ | 348.19677 | 184.6 |
[M-H]- | 324.20027 | 182.0 |
[M+NH4]+ | 343.24137 | 194.8 |
[M+K]+ | 364.17071 | 180.6 |
[M+H-H2O]+ | 308.20481 | 173.3 |
[M+HCOO]- | 370.20575 | 194.5 |
[M+CH3COO]- | 384.22140 | 213.6 |
[M+Na-2H]- | 346.18222 | 176.7 |
[M]+ | 325.20700 | 185.9 |
[M]- | 325.20810 | 185.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.