CID 60502
1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenylbarbituric acid hydrochloride
Structural Information
- Molecular Formula
- C18H23N3O4
- SMILES
- CCC1(C(=O)NC(=O)N(C1=O)CC(=O)CCN(C)C)C2=CC=CC=C2
- InChI
- InChI=1S/C18H23N3O4/c1-4-18(13-8-6-5-7-9-13)15(23)19-17(25)21(16(18)24)12-14(22)10-11-20(2)3/h5-9H,4,10-12H2,1-3H3,(H,19,23,25)
- InChIKey
- OIVCBMWVLWMLIX-UHFFFAOYSA-N
- Compound name
- 1-[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 346.17613 | 179.6 |
[M+Na]+ | 368.15807 | 185.4 |
[M-H]- | 344.16157 | 183.2 |
[M+NH4]+ | 363.20267 | 191.6 |
[M+K]+ | 384.13201 | 182.4 |
[M+H-H2O]+ | 328.16611 | 171.0 |
[M+HCOO]- | 390.16705 | 196.3 |
[M+CH3COO]- | 404.18270 | 216.7 |
[M+Na-2H]- | 366.14352 | 179.8 |
[M]+ | 345.16830 | 179.9 |
[M]- | 345.16940 | 179.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.