CID 238992

5-benzyl-2,4-di(piperidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C21H28N4
SMILES
C1CCN(CC1)C2=NC(=NC=C2CC3=CC=CC=C3)N4CCCCC4
InChI
InChI=1S/C21H28N4/c1-4-10-18(11-5-1)16-19-17-22-21(25-14-8-3-9-15-25)23-20(19)24-12-6-2-7-13-24/h1,4-5,10-11,17H,2-3,6-9,12-16H2
InChIKey
JQWGHMCKIKFATG-UHFFFAOYSA-N
Compound name
5-benzyl-2,4-di(piperidin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23138 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23866 186.2
[M+Na]+ 359.22060 187.8
[M-H]- 335.22410 190.5
[M+NH4]+ 354.26520 192.3
[M+K]+ 375.19454 180.7
[M+H-H2O]+ 319.22864 171.5
[M+HCOO]- 381.22958 196.2
[M+CH3COO]- 395.24523 192.0
[M+Na-2H]- 357.20605 187.4
[M]+ 336.23083 176.0
[M]- 336.23193 176.0
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.