CID 459128

2-amino-4-{bis[4-(1-piperidyl)butyl]amino}pyrimidine

Structural Information

Molecular Formula
C22H40N6
SMILES
C1CCN(CC1)CCCCN(CCCCN2CCCCC2)C3=NC(=NC=C3)N
InChI
InChI=1S/C22H40N6/c23-22-24-12-11-21(25-22)28(19-9-7-17-26-13-3-1-4-14-26)20-10-8-18-27-15-5-2-6-16-27/h11-12H,1-10,13-20H2,(H2,23,24,25)
InChIKey
KSNFNUABBJULDN-UHFFFAOYSA-N
Compound name
4-N,4-N-bis(4-piperidin-1-ylbutyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.33145 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.33873 198.7
[M+Na]+ 411.32067 196.1
[M-H]- 387.32417 199.9
[M+NH4]+ 406.36527 202.9
[M+K]+ 427.29461 190.9
[M+H-H2O]+ 371.32871 184.2
[M+HCOO]- 433.32965 209.5
[M+CH3COO]- 447.34530 228.2
[M+Na-2H]- 409.30612 198.1
[M]+ 388.33090 190.5
[M]- 388.33200 190.5
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.