CID 88855458

2-chloro-n,6-dimethylpyrimidine-4-carboxamide

Structural Information

Molecular Formula
C7H8ClN3O
SMILES
CC1=CC(=NC(=N1)Cl)C(=O)NC
InChI
InChI=1S/C7H8ClN3O/c1-4-3-5(6(12)9-2)11-7(8)10-4/h3H,1-2H3,(H,9,12)
InChIKey
VXDUVRFGTXTIOF-UHFFFAOYSA-N
Compound name
2-chloro-N,6-dimethylpyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.03558 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04286 135.7
[M+Na]+ 208.02480 145.8
[M-H]- 184.02830 137.2
[M+NH4]+ 203.06940 153.9
[M+K]+ 223.99874 142.5
[M+H-H2O]+ 168.03284 129.3
[M+HCOO]- 230.03378 154.1
[M+CH3COO]- 244.04943 182.9
[M+Na-2H]- 206.01025 142.3
[M]+ 185.03503 137.8
[M]- 185.03613 137.8
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

patents stripe