CID 135491510

Chembl371706

Structural Information

Molecular Formula
C26H24N4O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CC(=N3)C4=CC=C(C=C4)O)C5=CC=CC=C5
InChI
InChI=1S/C26H24N4O/c31-23-13-11-21(12-14-23)25-19-24(20-7-3-1-4-8-20)27-26(28-25)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1-14,19,31H,15-18H2
InChIKey
ZNCSNNAOFHIHHT-UHFFFAOYSA-N
Compound name
4-[6-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.195 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20228 203.5
[M+Na]+ 431.18422 208.2
[M-H]- 407.18772 210.8
[M+NH4]+ 426.22882 205.7
[M+K]+ 447.15816 198.6
[M+H-H2O]+ 391.19226 187.8
[M+HCOO]- 453.19320 215.4
[M+CH3COO]- 467.20885 209.2
[M+Na-2H]- 429.16967 205.6
[M]+ 408.19445 196.5
[M]- 408.19555 196.5
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.