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 177.3
[M-H]- 289.19215 175.2
[M+NH4]+ 308.23325 185.2
[M+K]+ 329.16259 174.0
[M+H-H2O]+ 273.19669 162.9
[M+HCOO]- 335.19763 188.3
[M+CH3COO]- 349.21328 204.3
[M+Na-2H]- 311.17410 172.4
[M]+ 290.19888 171.8
[M]- 290.19998 171.8
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.