CID 49072
67049-54-1
Structural Information
- Molecular Formula
- C18H19NO4
- SMILES
- CN(C)CC(C1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3
- InChI
- InChI=1S/C18H19NO4/c1-19(2)11-17(23-18(20)13-6-4-3-5-7-13)14-8-9-15-16(10-14)22-12-21-15/h3-10,17H,11-12H2,1-2H3
- InChIKey
- CJKXQXAXUJARNR-UHFFFAOYSA-N
- Compound name
- [1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl] benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 314.13868 | 174.3 |
[M+Na]+ | 336.12062 | 179.2 |
[M-H]- | 312.12412 | 184.0 |
[M+NH4]+ | 331.16522 | 188.6 |
[M+K]+ | 352.09456 | 180.1 |
[M+H-H2O]+ | 296.12866 | 166.6 |
[M+HCOO]- | 358.12960 | 195.0 |
[M+CH3COO]- | 372.14525 | 210.1 |
[M+Na-2H]- | 334.10607 | 177.7 |
[M]+ | 313.13085 | 178.6 |
[M]- | 313.13195 | 178.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.