CID 22184240
1-butanone, 1-(3,4-dimethoxyphenyl)-2-(dimethylamino)-2-(phenylmethyl)-
Structural Information
- Molecular Formula
- C21H27NO3
- SMILES
- CCC(CC1=CC=CC=C1)(C(=O)C2=CC(=C(C=C2)OC)OC)N(C)C
- InChI
- InChI=1S/C21H27NO3/c1-6-21(22(2)3,15-16-10-8-7-9-11-16)20(23)17-12-13-18(24-4)19(14-17)25-5/h7-14H,6,15H2,1-5H3
- InChIKey
- OTMMWFBAUBABTM-UHFFFAOYSA-N
- Compound name
- 2-benzyl-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)butan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 342.20638 | 183.8 |
[M+Na]+ | 364.18832 | 188.6 |
[M-H]- | 340.19182 | 191.4 |
[M+NH4]+ | 359.23292 | 197.4 |
[M+K]+ | 380.16226 | 186.8 |
[M+H-H2O]+ | 324.19636 | 175.1 |
[M+HCOO]- | 386.19730 | 205.6 |
[M+CH3COO]- | 400.21295 | 220.1 |
[M+Na-2H]- | 362.17377 | 186.1 |
[M]+ | 341.19855 | 189.2 |
[M]- | 341.19965 | 189.2 |
Literature stripe
No literature data available for this compound.