CID 3059140

Pyrimidine, 2-((1-(5-chloro-2-methoxybenzyl)-4-piperidyl)amino)-

Structural Information

Molecular Formula
C17H21ClN4O
SMILES
COC1=C(C=C(C=C1)Cl)CN2CCC(CC2)NC3=NC=CC=N3
InChI
InChI=1S/C17H21ClN4O/c1-23-16-4-3-14(18)11-13(16)12-22-9-5-15(6-10-22)21-17-19-7-2-8-20-17/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,19,20,21)
InChIKey
IZMZGSIMYLFZFK-UHFFFAOYSA-N
Compound name
N-[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14038 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14766 178.9
[M+Na]+ 355.12960 193.9
[M+NH4]+ 350.17420 186.7
[M+K]+ 371.10354 184.9
[M-H]- 331.13310 184.5
[M+Na-2H]- 353.11505 188.4
[M]+ 332.13983 182.9
[M]- 332.14093 182.9
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.