CID 120937

1877-53-8

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]+ 333.25365 183.6
[M+Na]+ 355.23559 186.6
[M-H]- 331.23909 186.3
[M+NH4]+ 350.28019 194.6
[M+K]+ 371.20953 184.2
[M+H-H2O]+ 315.24363 174.4
[M+HCOO]- 377.24457 195.6
[M+CH3COO]- 391.26022 215.9
[M+Na-2H]- 353.22104 179.0
[M]+ 332.24582 182.5
[M]- 332.24692 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.