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]+ 200.05852 140.2
[M+Na]+ 222.04046 152.8
[M+NH4]+ 217.08506 147.4
[M+K]+ 238.01440 147.7
[M-H]- 198.04396 140.9
[M+Na-2H]- 220.02591 145.9
[M]+ 199.05069 142.3
[M]- 199.05179 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.