CID 215818

Brn 0944706

Structural Information

Molecular Formula
C30H32N4
SMILES
C1CN(CCN1CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5
InChI
InChI=1S/C30H32N4/c1-4-12-26(13-5-1)30(27-14-6-2-7-15-27,28-16-8-3-9-17-28)18-10-21-33-22-24-34(25-23-33)29-31-19-11-20-32-29/h1-9,11-17,19-20H,10,18,21-25H2
InChIKey
DQHRNTKUPXVNOX-UHFFFAOYSA-N
Compound name
2-[4-(4,4,4-triphenylbutyl)piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2627 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.26998 216.3
[M+Na]+ 471.25192 233.7
[M+NH4]+ 466.29652 223.6
[M+K]+ 487.22586 222.1
[M-H]- 447.25542 225.4
[M+Na-2H]- 469.23737 230.6
[M]+ 448.26215 221.7
[M]- 448.26325 221.7
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.