CID 135434907
Chembl160650
Structural Information
- Molecular Formula
- C15H16N4O2
- SMILES
- CCCNC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)OC
- InChI
- InChI=1S/C15H16N4O2/c1-3-8-17-15-18-13(12(9-16)14(20)19-15)10-4-6-11(21-2)7-5-10/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20)
- InChIKey
- IUIKQNKYIQDRFK-UHFFFAOYSA-N
- Compound name
- 4-(4-methoxyphenyl)-6-oxo-2-(propylamino)-1H-pyrimidine-5-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.13460 | 166.1 |
[M+Na]+ | 307.11654 | 176.0 |
[M-H]- | 283.12004 | 167.7 |
[M+NH4]+ | 302.16114 | 176.7 |
[M+K]+ | 323.09048 | 170.5 |
[M+H-H2O]+ | 267.12458 | 150.3 |
[M+HCOO]- | 329.12552 | 183.5 |
[M+CH3COO]- | 343.14117 | 212.2 |
[M+Na-2H]- | 305.10199 | 169.8 |
[M]+ | 284.12677 | 161.8 |
[M]- | 284.12787 | 161.8 |