CID 48920
Benzoic acid, 3-(n-benzyl-n-methylamino)propyl ester, hydrochloride
Structural Information
- Molecular Formula
- C18H21NO2
- SMILES
- CN(CCCOC(=O)C1=CC=CC=C1)CC2=CC=CC=C2
- InChI
- InChI=1S/C18H21NO2/c1-19(15-16-9-4-2-5-10-16)13-8-14-21-18(20)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3
- InChIKey
- UUBWBDFRYIQDAU-UHFFFAOYSA-N
- Compound name
- 3-[benzyl(methyl)amino]propyl benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.16451 | 168.7 |
[M+Na]+ | 306.14645 | 172.7 |
[M-H]- | 282.14995 | 175.7 |
[M+NH4]+ | 301.19105 | 184.1 |
[M+K]+ | 322.12039 | 170.2 |
[M+H-H2O]+ | 266.15449 | 159.7 |
[M+HCOO]- | 328.15543 | 192.8 |
[M+CH3COO]- | 342.17108 | 205.7 |
[M+Na-2H]- | 304.13190 | 172.9 |
[M]+ | 283.15668 | 171.0 |
[M]- | 283.15778 | 171.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.