CID 459841

N4,n4-diethyl-n2-[5-(1-piperidyl)pentyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C18H33N5
SMILES
CCN(CC)C1=NC(=NC=C1)NCCCCCN2CCCCC2
InChI
InChI=1S/C18H33N5/c1-3-23(4-2)17-11-13-20-18(21-17)19-12-7-5-8-14-22-15-9-6-10-16-22/h11,13H,3-10,12,14-16H2,1-2H3,(H,19,20,21)
InChIKey
OGDBGLIRTVHTAY-UHFFFAOYSA-N
Compound name
4-N,4-N-diethyl-2-N-(5-piperidin-1-ylpentyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.2736 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.28088 181.8
[M+Na]+ 342.26282 182.8
[M-H]- 318.26632 183.4
[M+NH4]+ 337.30742 191.5
[M+K]+ 358.23676 179.2
[M+H-H2O]+ 302.27086 169.8
[M+HCOO]- 364.27180 199.0
[M+CH3COO]- 378.28745 217.4
[M+Na-2H]- 340.24827 184.5
[M]+ 319.27305 179.7
[M]- 319.27415 179.7
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.