CID 210108

Brn 0967133

Structural Information

Molecular Formula
C31H34N4
SMILES
CC1=CC(=NC(=N1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C31H34N4/c1-25-24-26(2)33-30(32-25)35-22-20-34(21-23-35)19-18-31(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,24H,18-23H2,1-2H3
InChIKey
UXUXRLXPISSQLN-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.27835 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.28563 221.3
[M+Na]+ 485.26757 239.2
[M+NH4]+ 480.31217 228.5
[M+K]+ 501.24151 227.8
[M-H]- 461.27107 230.7
[M+Na-2H]- 483.25302 235.0
[M]+ 462.27780 226.9
[M]- 462.27890 226.9
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.