CID 3059141

Pyrimidine, 2-((1-(3,4-dichlorobenzyl)-4-piperidyl)amino)-

Structural Information

Molecular Formula
C16H18Cl2N4
SMILES
C1CN(CCC1NC2=NC=CC=N2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H18Cl2N4/c17-14-3-2-12(10-15(14)18)11-22-8-4-13(5-9-22)21-16-19-6-1-7-20-16/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,19,20,21)
InChIKey
YZXRENDGSHBOSX-UHFFFAOYSA-N
Compound name
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09813 176.7
[M+Na]+ 359.08007 183.5
[M-H]- 335.08357 180.2
[M+NH4]+ 354.12467 186.7
[M+K]+ 375.05401 175.7
[M+H-H2O]+ 319.08811 165.5
[M+HCOO]- 381.08905 184.3
[M+CH3COO]- 395.10470 185.1
[M+Na-2H]- 357.06552 180.0
[M]+ 336.09030 174.8
[M]- 336.09140 174.8
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.