CID 492377
4-benzyl-1,3-bis(ethoxymethyl)-2,6-dioxo-pyrimidine-5-carbonitrile
Structural Information
- Molecular Formula
- C18H21N3O4
- SMILES
- CCOCN1C(=C(C(=O)N(C1=O)COCC)C#N)CC2=CC=CC=C2
- InChI
- InChI=1S/C18H21N3O4/c1-3-24-12-20-16(10-14-8-6-5-7-9-14)15(11-19)17(22)21(18(20)23)13-25-4-2/h5-9H,3-4,10,12-13H2,1-2H3
- InChIKey
- HBSRDJVZTUAZRW-UHFFFAOYSA-N
- Compound name
- 4-benzyl-1,3-bis(ethoxymethyl)-2,6-dioxopyrimidine-5-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.16048 | 175.9 |
[M+Na]+ | 366.14242 | 186.5 |
[M-H]- | 342.14592 | 178.6 |
[M+NH4]+ | 361.18702 | 185.4 |
[M+K]+ | 382.11636 | 181.8 |
[M+H-H2O]+ | 326.15046 | 159.4 |
[M+HCOO]- | 388.15140 | 193.4 |
[M+CH3COO]- | 402.16705 | 222.1 |
[M+Na-2H]- | 364.12787 | 177.9 |
[M]+ | 343.15265 | 177.0 |
[M]- | 343.15375 | 177.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.