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]+ 202.03778 138.2
[M+Na]+ 224.01972 147.3
[M-H]- 200.02322 139.3
[M+NH4]+ 219.06432 155.3
[M+K]+ 239.99366 144.5
[M+H-H2O]+ 184.02776 131.3
[M+HCOO]- 246.02870 156.9
[M+CH3COO]- 260.04435 183.8
[M+Na-2H]- 222.00517 145.6
[M]+ 201.02995 141.4
[M]- 201.03105 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.