CID 488894

2-((s)-2-methoxymethyl-pyrrolidin-1-yl)-4-methyl-6-(2-methyl-imidazol-1-yl)-5-nitro-pyrimidine

Structural Information

Molecular Formula
C15H20N6O3
SMILES
CC1=C(C(=NC(=N1)N2CCC[C@H]2COC)N3C=CN=C3C)[N+](=O)[O-]
InChI
InChI=1S/C15H20N6O3/c1-10-13(21(22)23)14(19-8-6-16-11(19)2)18-15(17-10)20-7-4-5-12(20)9-24-3/h6,8,12H,4-5,7,9H2,1-3H3/t12-/m0/s1
InChIKey
GLXKAHVVKRCQNH-LBPRGKRZSA-N
Compound name
2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1597 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16698 177.6
[M+Na]+ 355.14892 184.7
[M-H]- 331.15242 182.3
[M+NH4]+ 350.19352 187.3
[M+K]+ 371.12286 177.1
[M+H-H2O]+ 315.15696 171.1
[M+HCOO]- 377.15790 196.0
[M+CH3COO]- 391.17355 204.9
[M+Na-2H]- 353.13437 179.1
[M]+ 332.15915 177.0
[M]- 332.16025 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.