CID 135491519

Chembl198924

Structural Information

Molecular Formula
C22H23N3O
SMILES
CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCCC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H23N3O/c1-16-5-7-17(8-6-16)20-15-21(18-9-11-19(26)12-10-18)24-22(23-20)25-13-3-2-4-14-25/h5-12,15,26H,2-4,13-14H2,1H3
InChIKey
DHVLUIOSGFUOFJ-UHFFFAOYSA-N
Compound name
4-[6-(4-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.1841 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 187.0
[M+Na]+ 368.17332 192.6
[M-H]- 344.17682 193.4
[M+NH4]+ 363.21792 194.3
[M+K]+ 384.14726 184.9
[M+H-H2O]+ 328.18136 174.0
[M+HCOO]- 390.18230 201.1
[M+CH3COO]- 404.19795 194.8
[M+Na-2H]- 366.15877 189.0
[M]+ 345.18355 181.4
[M]- 345.18465 181.4
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.