CID 5101430
3-(3,4-dimethylanilino)-1-(2-naphthyl)-1-propanone
Structural Information
- Molecular Formula
- C21H21NO
- SMILES
- CC1=C(C=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2)C
- InChI
- InChI=1S/C21H21NO/c1-15-7-10-20(13-16(15)2)22-12-11-21(23)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,22H,11-12H2,1-2H3
- InChIKey
- AQXSAWHCXIOKIP-UHFFFAOYSA-N
- Compound name
- 3-(3,4-dimethylanilino)-1-naphthalen-2-ylpropan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 304.16960 | 173.2 |
[M+Na]+ | 326.15154 | 179.9 |
[M-H]- | 302.15504 | 180.5 |
[M+NH4]+ | 321.19614 | 188.8 |
[M+K]+ | 342.12548 | 174.2 |
[M+H-H2O]+ | 286.15958 | 164.5 |
[M+HCOO]- | 348.16052 | 195.2 |
[M+CH3COO]- | 362.17617 | 211.1 |
[M+Na-2H]- | 324.13699 | 177.6 |
[M]+ | 303.16177 | 173.8 |
[M]- | 303.16287 | 173.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.