CID 210217

21162-92-5

Structural Information

Molecular Formula
C29H30N4O
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC(=O)N5
InChI
InChI=1S/C29H30N4O/c34-27-16-18-30-28(31-27)33-22-20-32(21-23-33)19-17-29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,18H,17,19-23H2,(H,30,31,34)
InChIKey
WMVRLRVVLUHMSQ-UHFFFAOYSA-N
Compound name
2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.24197 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.24925 214.6
[M+Na]+ 473.23119 231.6
[M+NH4]+ 468.27579 221.0
[M+K]+ 489.20513 221.2
[M-H]- 449.23469 222.8
[M+Na-2H]- 471.21664 228.0
[M]+ 450.24142 219.6
[M]- 450.24252 219.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.