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 140.3
[M+Na]+ 222.04046 149.7
[M-H]- 198.04396 141.2
[M+NH4]+ 217.08506 157.5
[M+K]+ 238.01440 146.3
[M+H-H2O]+ 182.04850 133.9
[M+HCOO]- 244.04944 156.8
[M+CH3COO]- 258.06509 186.9
[M+Na-2H]- 220.02591 144.1
[M]+ 199.05069 141.3
[M]- 199.05179 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.