CID 120933

1877-51-6

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCC1=C(C(=CC=C1)CC)OC(=O)C(C)N2CCN(CC2)C
InChI
InChI=1S/C18H28N2O2/c1-5-15-8-7-9-16(6-2)17(15)22-18(21)14(3)20-12-10-19(4)11-13-20/h7-9,14H,5-6,10-13H2,1-4H3
InChIKey
DVZIPRFNAAKHRC-UHFFFAOYSA-N
Compound name
(2,6-diethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 176.2
[M+Na]+ 327.20432 187.7
[M+NH4]+ 322.24892 182.7
[M+K]+ 343.17826 181.3
[M-H]- 303.20782 178.4
[M+Na-2H]- 325.18977 180.9
[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.