CID 3025158

102207-81-8

Structural Information

Molecular Formula
C16H20ClN3O
SMILES
CCN(CC)C1=NC(=NC(=C1)C)COC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H20ClN3O/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14/h6-10H,4-5,11H2,1-3H3
InChIKey
UQUKVMJTVKZVQS-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1295 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13678 171.3
[M+Na]+ 328.11872 179.8
[M-H]- 304.12222 176.5
[M+NH4]+ 323.16332 185.1
[M+K]+ 344.09266 175.1
[M+H-H2O]+ 288.12676 161.9
[M+HCOO]- 350.12770 189.4
[M+CH3COO]- 364.14335 210.7
[M+Na-2H]- 326.10417 175.4
[M]+ 305.12895 177.3
[M]- 305.13005 177.3
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.