CID 489899
5-chloro-1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione
Structural Information
- Molecular Formula
- C10H12ClN5O4
- SMILES
- C1=C(N=NN1COCCO)CN2C=C(C(=O)NC2=O)Cl
- InChI
- InChI=1S/C10H12ClN5O4/c11-8-5-15(10(19)12-9(8)18)3-7-4-16(14-13-7)6-20-2-1-17/h4-5,17H,1-3,6H2,(H,12,18,19)
- InChIKey
- XBVWJALMBIPOFR-UHFFFAOYSA-N
- Compound name
- 5-chloro-1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 302.06505 | 161.9 |
[M+Na]+ | 324.04699 | 173.3 |
[M-H]- | 300.05049 | 160.5 |
[M+NH4]+ | 319.09159 | 171.7 |
[M+K]+ | 340.02093 | 167.5 |
[M+H-H2O]+ | 284.05503 | 152.4 |
[M+HCOO]- | 346.05597 | 174.8 |
[M+CH3COO]- | 360.07162 | 194.7 |
[M+Na-2H]- | 322.03244 | 164.8 |
[M]+ | 301.05722 | 166.4 |
[M]- | 301.05832 | 166.4 |
Literature stripe
Patent stripe
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