CID 200506

Fc 658

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1=CC(=C(C(=C1)C)OC(=O)CN2CCN(CC2)C)C
InChI
InChI=1S/C16H24N2O2/c1-12-9-13(2)16(14(3)10-12)20-15(19)11-18-7-5-17(4)6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKey
RGIROIVFNKWHFZ-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl) 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.5
[M+Na]+ 299.17300 173.9
[M-H]- 275.17650 171.0
[M+NH4]+ 294.21760 181.3
[M+K]+ 315.14694 170.9
[M+H-H2O]+ 259.18104 158.6
[M+HCOO]- 321.18198 183.8
[M+CH3COO]- 335.19763 202.5
[M+Na-2H]- 297.15845 167.5
[M]+ 276.18323 167.1
[M]- 276.18433 167.1
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.