CID 4138831

2-chloro-n-(5-methoxypyrimidin-2-yl)acetamide

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
COC1=CN=C(N=C1)NC(=O)CCl
InChI
InChI=1S/C7H8ClN3O2/c1-13-5-3-9-7(10-4-5)11-6(12)2-8/h3-4H,2H2,1H3,(H,9,10,11,12)
InChIKey
NCXPMNWXBYNDNP-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-methoxypyrimidin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0305 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.037776 138.2
[M+Na]+ 224.019718 147.3
[M-H]- 200.023224 139.3
[M+NH4]+ 219.064323 155.3
[M+K]+ 239.993658 144.5
[M+H-H2O]+ 184.027760 131.3
[M+HCOO]- 246.028701 156.9
[M+CH3COO]- 260.044351 183.8
[M+Na-2H]- 222.005166 145.6
[M]+ 201.02995142 141.4
[M]- 201.03104858 141.4
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.