CID 120933

Fc 643

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]+ 305.222376 176.4
[M+Na]+ 327.204318 180.6
[M-H]- 303.207824 179.2
[M+NH4]+ 322.248923 188.6
[M+K]+ 343.178258 177.6
[M+H-H2O]+ 287.212360 167.0
[M+HCOO]- 349.213301 191.0
[M+CH3COO]- 363.228951 208.1
[M+Na-2H]- 325.189766 174.9
[M]+ 304.21455142 175.6
[M]- 304.21564858 175.6
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.