CID 48938
Brn 3308608
Structural Information
- Molecular Formula
- C16H25NO2S
- SMILES
- CCCSC1=CC=CC=C1C(=O)OCCN(CC)CC
- InChI
- InChI=1S/C16H25NO2S/c1-4-13-20-15-10-8-7-9-14(15)16(18)19-12-11-17(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3
- InChIKey
- DPGQOHPORFQQRU-UHFFFAOYSA-N
- Compound name
- 2-(diethylamino)ethyl 2-propylsulfanylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.16788 | 172.0 |
[M+Na]+ | 318.14982 | 176.5 |
[M-H]- | 294.15332 | 176.1 |
[M+NH4]+ | 313.19442 | 188.3 |
[M+K]+ | 334.12376 | 174.1 |
[M+H-H2O]+ | 278.15786 | 164.2 |
[M+HCOO]- | 340.15880 | 189.9 |
[M+CH3COO]- | 354.17445 | 208.8 |
[M+Na-2H]- | 316.13527 | 171.2 |
[M]+ | 295.16005 | 178.9 |
[M]- | 295.16115 | 178.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.