CID 3025148

102207-69-2

Structural Information

Molecular Formula
C11H18ClN3
SMILES
CCCCCCC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C11H18ClN3/c1-3-4-5-6-7-9-10(12)14-8(2)15-11(9)13/h3-7H2,1-2H3,(H2,13,14,15)
InChIKey
DUZHGJDTZVOGAW-UHFFFAOYSA-N
Compound name
6-chloro-5-hexyl-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11893 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12621 152.7
[M+Na]+ 250.10815 162.0
[M-H]- 226.11165 153.1
[M+NH4]+ 245.15275 169.3
[M+K]+ 266.08209 156.9
[M+H-H2O]+ 210.11619 145.7
[M+HCOO]- 272.11713 169.6
[M+CH3COO]- 286.13278 194.1
[M+Na-2H]- 248.09360 156.4
[M]+ 227.11838 155.5
[M]- 227.11948 155.5
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.