CID 120603

1877-50-5

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCC1=C(C(=CC=C1)CC)OC(=O)CN2CCN(CC2)C
InChI
InChI=1S/C17H26N2O2/c1-4-14-7-6-8-15(5-2)17(14)21-16(20)13-19-11-9-18(3)10-12-19/h6-8H,4-5,9-13H2,1-3H3
InChIKey
VONRRIVCUXSMFF-UHFFFAOYSA-N
Compound name
(2,6-diethylphenyl) 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.3
[M+Na]+ 313.18865 184.4
[M+NH4]+ 308.23325 179.1
[M+K]+ 329.16259 177.3
[M-H]- 289.19215 174.8
[M+Na-2H]- 311.17410 177.6
[M]+ 290.19888 174.6
[M]- 290.19998 174.6
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.