CID 2654245

S 385

Structural Information

Molecular Formula
C18H27N3O3
SMILES
CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C18H27N3O3/c1-5-24-18(23)21-8-6-20(7-9-21)12-16(22)19-17-14(3)10-13(2)11-15(17)4/h10-11H,5-9,12H2,1-4H3,(H,19,22)
InChIKey
VOJUKTBEVDVFER-UHFFFAOYSA-N
Compound name
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21251 182.6
[M+Na]+ 356.19445 187.3
[M-H]- 332.19795 186.0
[M+NH4]+ 351.23905 193.6
[M+K]+ 372.16839 184.4
[M+H-H2O]+ 316.20249 173.2
[M+HCOO]- 378.20343 198.7
[M+CH3COO]- 392.21908 214.6
[M+Na-2H]- 354.17990 181.1
[M]+ 333.20468 182.2
[M]- 333.20578 182.2
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.