CID 459838

2-amino-4-[5-(1-piperidyl)amylamino]pyrimidine

Structural Information

Molecular Formula
C14H25N5
SMILES
C1CCN(CC1)CCCCCNC2=NC(=NC=C2)N
InChI
InChI=1S/C14H25N5/c15-14-17-9-7-13(18-14)16-8-3-1-4-10-19-11-5-2-6-12-19/h7,9H,1-6,8,10-12H2,(H3,15,16,17,18)
InChIKey
QVLQOEAQLGEICA-UHFFFAOYSA-N
Compound name
4-N-(5-piperidin-1-ylpentyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.21828 164.1
[M+Na]+ 286.20022 166.9
[M-H]- 262.20372 164.5
[M+NH4]+ 281.24482 175.2
[M+K]+ 302.17416 162.5
[M+H-H2O]+ 246.20826 153.2
[M+HCOO]- 308.20920 181.6
[M+CH3COO]- 322.22485 201.6
[M+Na-2H]- 284.18567 168.6
[M]+ 263.21045 158.4
[M]- 263.21155 158.4
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.