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 165.2
[M+Na]+ 290.16277 169.6
[M-H]- 266.16627 169.1
[M+NH4]+ 285.20737 176.4
[M+K]+ 306.13671 164.0
[M+H-H2O]+ 250.17081 153.4
[M+HCOO]- 312.17175 181.3
[M+CH3COO]- 326.18740 174.3
[M+Na-2H]- 288.14822 170.3
[M]+ 267.17300 160.0
[M]- 267.17410 160.0
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