CID 227459

4-amino-2-chloro-6-methyl-5-nitropyrimidine

Structural Information

Molecular Formula
C5H5ClN4O2
SMILES
CC1=C(C(=NC(=N1)Cl)N)[N+](=O)[O-]
InChI
InChI=1S/C5H5ClN4O2/c1-2-3(10(11)12)4(7)9-5(6)8-2/h1H3,(H2,7,8,9)
InChIKey
ZBYYVBFAHVINCE-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

188.0101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01738 133.1
[M+Na]+ 210.99932 143.2
[M-H]- 187.00282 134.4
[M+NH4]+ 206.04392 150.1
[M+K]+ 226.97326 136.1
[M+H-H2O]+ 171.00736 131.7
[M+HCOO]- 233.00830 153.2
[M+CH3COO]- 247.02395 177.1
[M+Na-2H]- 208.98477 141.4
[M]+ 188.00955 132.5
[M]- 188.01065 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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