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]+ 186.042856 135.7
[M+Na]+ 208.024798 145.8
[M-H]- 184.028304 137.2
[M+NH4]+ 203.069403 153.9
[M+K]+ 223.998738 142.5
[M+H-H2O]+ 168.032840 129.3
[M+HCOO]- 230.033781 154.1
[M+CH3COO]- 244.049431 182.9
[M+Na-2H]- 206.010246 142.3
[M]+ 185.03503142 137.8
[M]- 185.03612858 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