CID 114380
Lu 3-075
Structural Information
- Molecular Formula
- C20H24ClNO
- SMILES
- CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=C(C=C3)Cl)C
- InChI
- InChI=1S/C20H24ClNO/c1-19(2)17-7-4-5-8-18(17)20(23-19,13-6-14-22-3)15-9-11-16(21)12-10-15/h4-5,7-12,22H,6,13-14H2,1-3H3
- InChIKey
- HXEFLJYQNKUXNR-UHFFFAOYSA-N
- Compound name
- 3-[1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N-methylpropan-1-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 330.16191 | 178.7 |
[M+Na]+ | 352.14385 | 188.0 |
[M-H]- | 328.14735 | 186.9 |
[M+NH4]+ | 347.18845 | 199.1 |
[M+K]+ | 368.11779 | 182.2 |
[M+H-H2O]+ | 312.15189 | 172.4 |
[M+HCOO]- | 374.15283 | 195.9 |
[M+CH3COO]- | 388.16848 | 190.6 |
[M+Na-2H]- | 350.12930 | 183.5 |
[M]+ | 329.15408 | 183.3 |
[M]- | 329.15518 | 183.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.