CID 4078582

4-amino-2-chloro-5-nitro-6-methoxypyrimidine

Structural Information

Molecular Formula
C5H5ClN4O3
SMILES
COC1=NC(=NC(=C1[N+](=O)[O-])N)Cl
InChI
InChI=1S/C5H5ClN4O3/c1-13-4-2(10(11)12)3(7)8-5(6)9-4/h1H3,(H2,7,8,9)
InChIKey
PFQFMTDRIFQRSS-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01230 135.6
[M+Na]+ 226.99424 145.5
[M-H]- 202.99774 137.0
[M+NH4]+ 222.03884 151.9
[M+K]+ 242.96818 139.0
[M+H-H2O]+ 187.00228 134.0
[M+HCOO]- 249.00322 156.0
[M+CH3COO]- 263.01887 179.3
[M+Na-2H]- 224.97969 144.1
[M]+ 204.00447 136.4
[M]- 204.00557 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.