CID 459839

4-diethylamino-6-methyl-2-[3-(1-piperidyl)propylamino]pyrimidine

Structural Information

Molecular Formula
C17H31N5
SMILES
CCN(CC)C1=NC(=NC(=C1)C)NCCCN2CCCCC2
InChI
InChI=1S/C17H31N5/c1-4-22(5-2)16-14-15(3)19-17(20-16)18-10-9-13-21-11-7-6-8-12-21/h14H,4-13H2,1-3H3,(H,18,19,20)
InChIKey
ASLBMCSOPDKQPP-UHFFFAOYSA-N
Compound name
4-N,4-N-diethyl-6-methyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.25793 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.26521 178.6
[M+Na]+ 328.24715 181.1
[M-H]- 304.25065 180.8
[M+NH4]+ 323.29175 189.2
[M+K]+ 344.22109 177.7
[M+H-H2O]+ 288.25519 167.1
[M+HCOO]- 350.25613 196.1
[M+CH3COO]- 364.27178 215.6
[M+Na-2H]- 326.23260 181.0
[M]+ 305.25738 176.5
[M]- 305.25848 176.5
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.