CID 3071756

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

Structural Information

Molecular Formula
C11H13N5
SMILES
C1CCN(C1)C2=NC=CC(=N2)N3C=CN=C3
InChI
InChI=1S/C11H13N5/c1-2-7-15(6-1)11-13-4-3-10(14-11)16-8-5-12-9-16/h3-5,8-9H,1-2,6-7H2
InChIKey
IPZKARHOZWFVPN-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-2-pyrrolidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 146.8
[M+Na]+ 238.10632 154.7
[M-H]- 214.10982 150.0
[M+NH4]+ 233.15092 161.3
[M+K]+ 254.08026 151.3
[M+H-H2O]+ 198.11436 135.4
[M+HCOO]- 260.11530 165.5
[M+CH3COO]- 274.13095 158.2
[M+Na-2H]- 236.09177 149.8
[M]+ 215.11655 144.0
[M]- 215.11765 144.0
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.