CID 3755818

Oprea1_414727

Structural Information

Molecular Formula
C21H21N3O
SMILES
C1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C21H21N3O/c25-18-11-9-17(10-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)24-13-5-2-6-14-24/h1,3-4,7-12,15,25H,2,5-6,13-14H2
InChIKey
LZBUNVKDSYQTBV-UHFFFAOYSA-N
Compound name
4-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.16846 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17574 181.8
[M+Na]+ 354.15768 186.9
[M-H]- 330.16118 187.9
[M+NH4]+ 349.20228 189.3
[M+K]+ 370.13162 179.3
[M+H-H2O]+ 314.16572 168.8
[M+HCOO]- 376.16666 196.2
[M+CH3COO]- 390.18231 189.7
[M+Na-2H]- 352.14313 185.1
[M]+ 331.16791 175.4
[M]- 331.16901 175.4
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.