CID 120599

1877-28-7

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CN2CCN(CC2)C
InChI
InChI=1S/C19H30N2O2/c1-14(2)16-7-6-8-17(15(3)4)19(16)23-18(22)13-21-11-9-20(5)10-12-21/h6-8,14-15H,9-13H2,1-5H3
InChIKey
XPNZUOJRFZJQLT-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 180.1
[M+Na]+ 341.219958 183.7
[M-H]- 317.223464 182.9
[M+NH4]+ 336.264563 191.7
[M+K]+ 357.193898 181.0
[M+H-H2O]+ 301.228000 170.8
[M+HCOO]- 363.228941 193.4
[M+CH3COO]- 377.244591 212.0
[M+Na-2H]- 339.205406 177.1
[M]+ 318.23019142 179.2
[M]- 318.23128858 179.2
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.