CID 479252
4-amino-6-[n-(4'-trimethylacetyloxybutyl)amino]-5-nitropyrimidine
Structural Information
- Molecular Formula
- C13H21N5O4
- SMILES
- CC(C)(C)C(=O)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])N
- InChI
- InChI=1S/C13H21N5O4/c1-13(2,3)12(19)22-7-5-4-6-15-11-9(18(20)21)10(14)16-8-17-11/h8H,4-7H2,1-3H3,(H3,14,15,16,17)
- InChIKey
- KVIFSFYIHQPEHQ-UHFFFAOYSA-N
- Compound name
- 4-[(6-amino-5-nitropyrimidin-4-yl)amino]butyl 2,2-dimethylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 312.16664 | 170.4 |
[M+Na]+ | 334.14858 | 175.1 |
[M-H]- | 310.15208 | 171.1 |
[M+NH4]+ | 329.19318 | 181.0 |
[M+K]+ | 350.12252 | 169.2 |
[M+H-H2O]+ | 294.15662 | 166.5 |
[M+HCOO]- | 356.15756 | 191.7 |
[M+CH3COO]- | 370.17321 | 204.3 |
[M+Na-2H]- | 332.13403 | 177.2 |
[M]+ | 311.15881 | 170.2 |
[M]- | 311.15991 | 170.2 |
Literature stripe
Patent stripe
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