CID 53613703

5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
CC(C)C1=NC=C(C(=N1)C(=O)N)Cl
InChI
InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)
InChIKey
PCWKLVQVDIXCTG-UHFFFAOYSA-N
Compound name
5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.058516 140.3
[M+Na]+ 222.040458 149.7
[M-H]- 198.043964 141.2
[M+NH4]+ 217.085063 157.5
[M+K]+ 238.014398 146.3
[M+H-H2O]+ 182.048500 133.9
[M+HCOO]- 244.049441 156.8
[M+CH3COO]- 258.065091 186.9
[M+Na-2H]- 220.025906 144.1
[M]+ 199.05069142 141.3
[M]- 199.05178858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.