CID 3044998

58013-04-0

Structural Information

Molecular Formula
C17H21N3O
SMILES
C1CN(CCN1CC(C2=CC=NC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O/c21-17(15-6-8-18-9-7-15)14-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-9,17,21H,10-14H2
InChIKey
GJGCCLWHKBPPIJ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-1-pyridin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.4
[M+Na]+ 306.15768 171.9
[M-H]- 282.16118 171.1
[M+NH4]+ 301.20228 178.0
[M+K]+ 322.13162 166.5
[M+H-H2O]+ 266.16572 156.9
[M+HCOO]- 328.16666 182.2
[M+CH3COO]- 342.18231 176.6
[M+Na-2H]- 304.14313 172.0
[M]+ 283.16791 162.2
[M]- 283.16901 162.2
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