CID 3053514
Brn 2739857
Structural Information
- Molecular Formula
- C19H25NO2
- SMILES
- CC(C)N(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O
- InChI
- InChI=1S/C19H25NO2/c1-15(2)20(12-10-16-6-4-3-5-7-16)13-11-17-8-9-18(21)19(22)14-17/h3-9,14-15,21-22H,10-13H2,1-2H3
- InChIKey
- UYMDUNQUHVECAG-UHFFFAOYSA-N
- Compound name
- 4-[2-[2-phenylethyl(propan-2-yl)amino]ethyl]benzene-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 300.19582 | 173.9 |
[M+Na]+ | 322.17776 | 178.2 |
[M-H]- | 298.18126 | 178.7 |
[M+NH4]+ | 317.22236 | 187.9 |
[M+K]+ | 338.15170 | 174.4 |
[M+H-H2O]+ | 282.18580 | 165.8 |
[M+HCOO]- | 344.18674 | 194.5 |
[M+CH3COO]- | 358.20239 | 207.5 |
[M+Na-2H]- | 320.16321 | 175.3 |
[M]+ | 299.18799 | 174.5 |
[M]- | 299.18909 | 174.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.