CID 3059138

Pyrimidine, 2-((1-(m-methoxybenzyl)-4-piperidyl)amino)-

Structural Information

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

Patent stripe

No patent data available for this compound.