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]+ 291.20671 171.8
[M+Na]+ 313.18865 176.6
[M-H]- 289.19215 174.9
[M+NH4]+ 308.23325 184.6
[M+K]+ 329.16259 173.8
[M+H-H2O]+ 273.19669 162.6
[M+HCOO]- 335.19763 186.8
[M+CH3COO]- 349.21328 205.2
[M+Na-2H]- 311.17410 170.9
[M]+ 290.19888 170.7
[M]- 290.19998 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.