CID 7147232

2-chloro-n-methyl-5-nitropyrimidin-4-amine

Structural Information

Molecular Formula
C5H5ClN4O2
SMILES
CNC1=NC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C5H5ClN4O2/c1-7-4-3(10(11)12)2-8-5(6)9-4/h2H,1H3,(H,7,8,9)
InChIKey
POTFNHOCCZSOOA-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

123
Patents

188.0101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01738 132.6
[M+Na]+ 210.99932 141.8
[M-H]- 187.00282 134.0
[M+NH4]+ 206.04392 149.5
[M+K]+ 226.97326 135.1
[M+H-H2O]+ 171.00736 130.8
[M+HCOO]- 233.00830 153.4
[M+CH3COO]- 247.02395 176.7
[M+Na-2H]- 208.98477 142.6
[M]+ 188.00955 132.6
[M]- 188.01065 132.6
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

patents stripe