CID 135491503

Chembl373215

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H24N4O2/c1-25-11-13-26(14-12-25)22-23-20(16-3-7-18(27)8-4-16)15-21(24-22)17-5-9-19(28-2)10-6-17/h3-10,15,27H,11-14H2,1-2H3
InChIKey
KPDDEOPHKITGNF-UHFFFAOYSA-N
Compound name
4-[6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.1899 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 195.8
[M+Na]+ 399.17912 202.1
[M-H]- 375.18262 201.2
[M+NH4]+ 394.22372 200.6
[M+K]+ 415.15306 194.7
[M+H-H2O]+ 359.18716 182.0
[M+HCOO]- 421.18810 208.6
[M+CH3COO]- 435.20375 202.9
[M+Na-2H]- 397.16457 197.1
[M]+ 376.18935 192.5
[M]- 376.19045 192.5
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.