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]+ 216.124376 146.8
[M+Na]+ 238.106318 154.7
[M-H]- 214.109824 150.0
[M+NH4]+ 233.150923 161.3
[M+K]+ 254.080258 151.3
[M+H-H2O]+ 198.114360 135.4
[M+HCOO]- 260.115301 165.5
[M+CH3COO]- 274.130951 158.2
[M+Na-2H]- 236.091766 149.8
[M]+ 215.11655142 144.0
[M]- 215.11764858 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.