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]+ 318.16008 175.6
[M+Na]+ 340.14202 182.2
[M-H]- 316.14552 182.9
[M+NH4]+ 335.18662 186.0
[M+K]+ 356.11596 175.1
[M+H-H2O]+ 300.15006 163.9
[M+HCOO]- 362.15100 193.0
[M+CH3COO]- 376.16665 185.1
[M+Na-2H]- 338.12747 177.5
[M]+ 317.15225 171.5
[M]- 317.15335 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.