CID 120935

1877-52-7

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCC1=C(C(=CC=C1)CC)OC(=O)C(CC)N2CCN(CC2)C
InChI
InChI=1S/C19H30N2O2/c1-5-15-9-8-10-16(6-2)18(15)23-19(22)17(7-3)21-13-11-20(4)12-14-21/h8-10,17H,5-7,11-14H2,1-4H3
InChIKey
DJTFAQDJOUDTIZ-UHFFFAOYSA-N
Compound name
(2,6-diethylphenyl) 2-(4-methylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.9
[M+Na]+ 341.21996 184.7
[M-H]- 317.22346 183.5
[M+NH4]+ 336.26456 192.5
[M+K]+ 357.19390 181.4
[M+H-H2O]+ 301.22800 171.3
[M+HCOO]- 363.22894 195.1
[M+CH3COO]- 377.24459 211.1
[M+Na-2H]- 339.20541 178.8
[M]+ 318.23019 180.4
[M]- 318.23129 180.4
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.