CID 3059150

Pyrimidine, 2-(4-(n-ethylbenzylamino)piperidino)-

Structural Information

Molecular Formula
C18H24N4
SMILES
CCN(CC1=CC=CC=C1)C2CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C18H24N4/c1-2-21(15-16-7-4-3-5-8-16)17-9-13-22(14-10-17)18-19-11-6-12-20-18/h3-8,11-12,17H,2,9-10,13-15H2,1H3
InChIKey
UAMIURILFNKBRQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-1-pyrimidin-2-ylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.2001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.207376 172.5
[M+Na]+ 319.189318 175.6
[M-H]- 295.192824 177.6
[M+NH4]+ 314.233923 182.7
[M+K]+ 335.163258 171.0
[M+H-H2O]+ 279.197360 160.0
[M+HCOO]- 341.198301 189.8
[M+CH3COO]- 355.213951 181.1
[M+Na-2H]- 317.174766 177.0
[M]+ 296.19955142 168.2
[M]- 296.20064858 168.2
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.