CID 11000026

Umb 24

Structural Information

Molecular Formula
C17H21N3
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2
InChIKey
LQCYBWKPUXERHX-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

267.17355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 166.4
[M+Na]+ 290.16277 181.6
[M+NH4]+ 285.20737 175.0
[M+K]+ 306.13671 172.1
[M-H]- 266.16627 172.1
[M+Na-2H]- 288.14822 177.1
[M]+ 267.17300 170.3
[M]- 267.17410 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe