CID 135491520

Chembl427369

Structural Information

Molecular Formula
C22H23N3O2
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)O)N4CCCCC4
InChI
InChI=1S/C22H23N3O2/c1-27-19-11-7-17(8-12-19)21-15-20(16-5-9-18(26)10-6-16)23-22(24-21)25-13-3-2-4-14-25/h5-12,15,26H,2-4,13-14H2,1H3
InChIKey
BKEOJAVNBJRVOY-UHFFFAOYSA-N
Compound name
4-[6-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.17902 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 189.9
[M+Na]+ 384.16824 195.3
[M-H]- 360.17174 196.3
[M+NH4]+ 379.21284 196.4
[M+K]+ 400.14218 188.3
[M+H-H2O]+ 344.17628 176.7
[M+HCOO]- 406.17722 204.2
[M+CH3COO]- 420.19287 197.6
[M+Na-2H]- 382.15369 192.0
[M]+ 361.17847 185.7
[M]- 361.17957 185.7
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.