CID 135491514

Chembl197898

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1CCN(C1)C2=NC(=CC(=N2)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O/c24-17-10-8-16(9-11-17)19-14-18(15-6-2-1-3-7-15)21-20(22-19)23-12-4-5-13-23/h1-3,6-11,14,24H,4-5,12-13H2
InChIKey
BFRZOAUMTWSUCI-UHFFFAOYSA-N
Compound name
4-(6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.1528 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 175.6
[M+Na]+ 340.142018 182.2
[M-H]- 316.145524 182.9
[M+NH4]+ 335.186623 186.0
[M+K]+ 356.115958 175.1
[M+H-H2O]+ 300.150060 163.9
[M+HCOO]- 362.151001 193.0
[M+CH3COO]- 376.166651 185.1
[M+Na-2H]- 338.127466 177.5
[M]+ 317.15225142 171.5
[M]- 317.15334858 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.