CID 3059139

2-((1-(p-methoxybenzyl)-4-piperidyl)amino)pyrimidine

Structural Information

Molecular Formula
C17H22N4O
SMILES
COC1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC=N3
InChI
InChI=1S/C17H22N4O/c1-22-16-5-3-14(4-6-16)13-21-11-7-15(8-12-21)20-17-18-9-2-10-19-17/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,18,19,20)
InChIKey
VERQGHWNDCHGCL-UHFFFAOYSA-N
Compound name
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 172.9
[M+Na]+ 321.16857 186.7
[M+NH4]+ 316.21317 180.4
[M+K]+ 337.14251 178.4
[M-H]- 297.17207 178.4
[M+Na-2H]- 319.15402 182.6
[M]+ 298.17880 176.3
[M]- 298.17990 176.3
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.

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No patent data available for this compound.