CID 132353709

4-chloro-n-cyclohexyl-n-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C11H16ClN3
SMILES
CN(C1CCCCC1)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C11H16ClN3/c1-15(9-5-3-2-4-6-9)11-13-8-7-10(12)14-11/h7-9H,2-6H2,1H3
InChIKey
BROYRFVFXFCIDQ-UHFFFAOYSA-N
Compound name
4-chloro-N-cyclohexyl-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10327 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.110546 149.9
[M+Na]+ 248.092488 155.6
[M-H]- 224.095994 153.9
[M+NH4]+ 243.137093 166.0
[M+K]+ 264.066428 152.2
[M+H-H2O]+ 208.100530 141.0
[M+HCOO]- 270.101471 165.0
[M+CH3COO]- 284.117121 192.5
[M+Na-2H]- 246.077936 155.0
[M]+ 225.10272142 147.5
[M]- 225.10381858 147.5
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

No patent data available for this compound.