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]+ 340.23833 186.5
[M+Na]+ 362.22027 189.1
[M-H]- 338.22377 190.2
[M+NH4]+ 357.26487 194.7
[M+K]+ 378.19421 184.2
[M+H-H2O]+ 322.22831 174.5
[M+HCOO]- 384.22925 198.8
[M+CH3COO]- 398.24490 211.6
[M+Na-2H]- 360.20572 189.1
[M]+ 339.23050 182.8
[M]- 339.23160 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.