CID 6481087
Chembl189953
Structural Information
- Molecular Formula
- C23H29N5O4
- SMILES
- CCOC(=O)CCCCOC1=CC(=C(C=C1)OC)CC2=CN=C3C(=C2C)C(=NC(=N3)N)N
- InChI
- InChI=1S/C23H29N5O4/c1-4-31-19(29)7-5-6-10-32-17-8-9-18(30-3)15(12-17)11-16-13-26-22-20(14(16)2)21(24)27-23(25)28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H4,24,25,26,27,28)
- InChIKey
- MXQNQGPRVZDOOS-UHFFFAOYSA-N
- Compound name
- ethyl 5-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]pentanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 440.22923 | 211.0 |
[M+Na]+ | 462.21117 | 217.8 |
[M-H]- | 438.21467 | 213.8 |
[M+NH4]+ | 457.25577 | 216.5 |
[M+K]+ | 478.18511 | 212.8 |
[M+H-H2O]+ | 422.21921 | 199.1 |
[M+HCOO]- | 484.22015 | 228.4 |
[M+CH3COO]- | 498.23580 | 238.9 |
[M+Na-2H]- | 460.19662 | 211.4 |
[M]+ | 439.22140 | 216.5 |
[M]- | 439.22250 | 216.5 |
Literature stripe
Patent stripe
No patent data available for this compound.