CID 121560

1940-89-2

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCC(C(=O)OC1=C(C=C(C=C1C)C)C)N2CCN(CC2)C
InChI
InChI=1S/C18H28N2O2/c1-6-16(20-9-7-19(5)8-10-20)18(21)22-17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3
InChIKey
LBNFJIJVDXOZHE-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 176.1
[M+Na]+ 327.20432 188.0
[M+NH4]+ 322.24892 182.6
[M+K]+ 343.17826 181.8
[M-H]- 303.20782 178.4
[M+Na-2H]- 325.18977 180.6
[M]+ 304.21455 178.3
[M]- 304.21565 178.3
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.