CID 15957805
Schembl6086356
Structural Information
- Molecular Formula
- C24H23N3O3
- SMILES
- CCC1=C(N(C(=O)NC1=O)CC2=NC3=CC=CC=C3C=C2)OC4=CC(=CC(=C4)C)C
- InChI
- InChI=1S/C24H23N3O3/c1-4-20-22(28)26-24(29)27(23(20)30-19-12-15(2)11-16(3)13-19)14-18-10-9-17-7-5-6-8-21(17)25-18/h5-13H,4,14H2,1-3H3,(H,26,28,29)
- InChIKey
- ZXGOFPHNMFGZBD-UHFFFAOYSA-N
- Compound name
- 6-(3,5-dimethylphenoxy)-5-ethyl-1-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 402.18123 | 201.9 |
[M+Na]+ | 424.16317 | 212.4 |
[M-H]- | 400.16667 | 207.9 |
[M+NH4]+ | 419.20777 | 209.0 |
[M+K]+ | 440.13711 | 204.2 |
[M+H-H2O]+ | 384.17121 | 189.4 |
[M+HCOO]- | 446.17215 | 218.4 |
[M+CH3COO]- | 460.18780 | 210.7 |
[M+Na-2H]- | 422.14862 | 204.1 |
[M]+ | 401.17340 | 205.1 |
[M]- | 401.17450 | 205.1 |
Literature stripe
No literature data available for this compound.