CID 3071752

Pyrimidine, 4-(1h-imidazol-1-yl)-2-(1-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H15N5
SMILES
C1CCN(CC1)C2=NC=CC(=N2)N3C=CN=C3
InChI
InChI=1S/C12H15N5/c1-2-7-16(8-3-1)12-14-5-4-11(15-12)17-9-6-13-10-17/h4-6,9-10H,1-3,7-8H2
InChIKey
JFYCLSQDHBWUFG-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 153.0
[M+Na]+ 252.12197 159.6
[M-H]- 228.12547 155.2
[M+NH4]+ 247.16657 164.9
[M+K]+ 268.09591 155.1
[M+H-H2O]+ 212.13001 140.8
[M+HCOO]- 274.13095 168.9
[M+CH3COO]- 288.14660 162.9
[M+Na-2H]- 250.10742 157.4
[M]+ 229.13220 148.0
[M]- 229.13330 148.0
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.