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 213.3
[M+Na]+ 473.23119 215.3
[M-H]- 449.23469 219.5
[M+NH4]+ 468.27579 213.2
[M+K]+ 489.20513 205.2
[M+H-H2O]+ 433.23923 197.3
[M+HCOO]- 495.24017 222.6
[M+CH3COO]- 509.25582 217.2
[M+Na-2H]- 471.21664 216.4
[M]+ 450.24142 205.1
[M]- 450.24252 205.1
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.