CID 135491501

Chembl199275

Structural Information

Molecular Formula
C21H22N4O
SMILES
CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O/c1-24-11-13-25(14-12-24)21-22-19(16-5-3-2-4-6-16)15-20(23-21)17-7-9-18(26)10-8-17/h2-10,15,26H,11-14H2,1H3
InChIKey
WCUCEUNNJFUYDX-UHFFFAOYSA-N
Compound name
4-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.17935 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 187.8
[M+Na]+ 369.16857 193.8
[M-H]- 345.17207 192.9
[M+NH4]+ 364.21317 193.6
[M+K]+ 385.14251 185.8
[M+H-H2O]+ 329.17661 174.1
[M+HCOO]- 391.17755 200.7
[M+CH3COO]- 405.19320 195.1
[M+Na-2H]- 367.15402 190.3
[M]+ 346.17880 182.3
[M]- 346.17990 182.3
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.