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]+ 299.186626 171.8
[M+Na]+ 321.168568 176.1
[M-H]- 297.172074 176.1
[M+NH4]+ 316.213173 181.6
[M+K]+ 337.142508 171.0
[M+H-H2O]+ 281.176610 159.7
[M+HCOO]- 343.177551 189.1
[M+CH3COO]- 357.193201 180.5
[M+Na-2H]- 319.154016 176.8
[M]+ 298.17880142 167.7
[M]- 298.17989858 167.7
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.