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 171.8
[M+Na]+ 321.16857 176.1
[M-H]- 297.17207 176.1
[M+NH4]+ 316.21317 181.6
[M+K]+ 337.14251 171.0
[M+H-H2O]+ 281.17661 159.7
[M+HCOO]- 343.17755 189.1
[M+CH3COO]- 357.19320 180.5
[M+Na-2H]- 319.15402 176.8
[M]+ 298.17880 167.7
[M]- 298.17990 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.