CID 120937

Fc 646

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C(C)N2CCN(CC2)C
InChI
InChI=1S/C20H32N2O2/c1-14(2)17-8-7-9-18(15(3)4)19(17)24-20(23)16(5)22-12-10-21(6)11-13-22/h7-9,14-16H,10-13H2,1-6H3
InChIKey
HCZXXHVAKLEEGY-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.253646 183.6
[M+Na]+ 355.235588 186.6
[M-H]- 331.239094 186.3
[M+NH4]+ 350.280193 194.6
[M+K]+ 371.209528 184.2
[M+H-H2O]+ 315.243630 174.4
[M+HCOO]- 377.244571 195.6
[M+CH3COO]- 391.260221 215.9
[M+Na-2H]- 353.221036 179.0
[M]+ 332.24582142 182.5
[M]- 332.24691858 182.5
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.