CID 91000

1-(2-(1,2-diphenylethylamino)ethyl)-4-(2-pyridyl)piperazine

Structural Information

Molecular Formula
C25H30N4
SMILES
C1CN(CCN1CCNC(CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C25H30N4/c1-3-9-22(10-4-1)21-24(23-11-5-2-6-12-23)26-15-16-28-17-19-29(20-18-28)25-13-7-8-14-27-25/h1-14,24,26H,15-21H2
InChIKey
DMTQGOOGFWYGHD-UHFFFAOYSA-N
Compound name
1,2-diphenyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.24704 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25432 195.4
[M+Na]+ 409.23626 196.1
[M-H]- 385.23976 201.1
[M+NH4]+ 404.28086 200.3
[M+K]+ 425.21020 188.3
[M+H-H2O]+ 369.24430 181.0
[M+HCOO]- 431.24524 209.8
[M+CH3COO]- 445.26089 201.0
[M+Na-2H]- 407.22171 198.4
[M]+ 386.24649 188.6
[M]- 386.24759 188.6
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.