CID 203036

13694-55-8

Structural Information

Molecular Formula
C21H29N3O
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H29N3O/c1-21(2,3)25-20(17-18-9-5-4-6-10-18)24-15-13-23(14-16-24)19-11-7-8-12-22-19/h4-12,20H,13-17H2,1-3H3
InChIKey
ILSXQQPDKIRGRL-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 186.5
[M+Na]+ 362.220268 189.1
[M-H]- 338.223774 190.2
[M+NH4]+ 357.264873 194.7
[M+K]+ 378.194208 184.2
[M+H-H2O]+ 322.228310 174.5
[M+HCOO]- 384.229251 198.8
[M+CH3COO]- 398.244901 211.6
[M+Na-2H]- 360.205716 189.1
[M]+ 339.23050142 182.8
[M]- 339.23159858 182.8
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.