CID 210873

Brn 0901975

Structural Information

Molecular Formula
C30H31N3
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5
InChI
InChI=1S/C30H31N3/c1-4-12-26(13-5-1)30(27-14-6-2-7-15-27,28-16-8-3-9-17-28)19-21-32-22-24-33(25-23-32)29-18-10-11-20-31-29/h1-18,20H,19,21-25H2
InChIKey
ZHBRCIXCEBIFDH-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-4-(3,3,3-triphenylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

433.2518 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.25908 210.1
[M+Na]+ 456.24102 211.2
[M-H]- 432.24452 218.2
[M+NH4]+ 451.28562 212.6
[M+K]+ 472.21496 201.8
[M+H-H2O]+ 416.24906 194.2
[M+HCOO]- 478.25000 221.7
[M+CH3COO]- 492.26565 214.8
[M+Na-2H]- 454.22647 213.4
[M]+ 433.25125 202.4
[M]- 433.25235 202.4
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

patents stripe