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 214.0
[M+Na]+ 471.25192 215.0
[M-H]- 447.25542 220.7
[M+NH4]+ 466.29652 214.4
[M+K]+ 487.22586 205.1
[M+H-H2O]+ 431.25996 197.2
[M+HCOO]- 493.26090 224.1
[M+CH3COO]- 507.27655 217.8
[M+Na-2H]- 469.23737 217.5
[M]+ 448.26215 206.6
[M]- 448.26325 206.6
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.