CID 459835

2-amino-4-[4-(1-piperidyl)butylamino]pyrimidine

Structural Information

Molecular Formula
C13H23N5
SMILES
C1CCN(CC1)CCCCNC2=NC(=NC=C2)N
InChI
InChI=1S/C13H23N5/c14-13-16-8-6-12(17-13)15-7-2-5-11-18-9-3-1-4-10-18/h6,8H,1-5,7,9-11H2,(H3,14,15,16,17)
InChIKey
CHUIHSUJFQDQHY-UHFFFAOYSA-N
Compound name
4-N-(4-piperidin-1-ylbutyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.19534 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.20262 159.9
[M+Na]+ 272.18456 163.1
[M-H]- 248.18806 160.5
[M+NH4]+ 267.22916 171.6
[M+K]+ 288.15850 158.9
[M+H-H2O]+ 232.19260 149.2
[M+HCOO]- 294.19354 177.7
[M+CH3COO]- 308.20919 198.6
[M+Na-2H]- 270.17001 164.9
[M]+ 249.19479 153.9
[M]- 249.19589 153.9
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.