CID 209881

20684-29-1

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCC(C(=O)OC1=C(C=CC=C1C)C)N2CCN(CC2)C
InChI
InChI=1S/C17H26N2O2/c1-5-15(19-11-9-18(4)10-12-19)17(20)21-16-13(2)7-6-8-14(16)3/h6-8,15H,5,9-12H2,1-4H3
InChIKey
LBKSWDGLHBBPTL-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 171.8
[M+Na]+ 313.188648 176.6
[M-H]- 289.192154 174.9
[M+NH4]+ 308.233253 184.6
[M+K]+ 329.162588 173.8
[M+H-H2O]+ 273.196690 162.6
[M+HCOO]- 335.197631 186.8
[M+CH3COO]- 349.213281 205.2
[M+Na-2H]- 311.174096 170.9
[M]+ 290.19888142 170.7
[M]- 290.19997858 170.7
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.