CID 118305

36371-23-0

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCN1CCN(C(C1)C(=O)NC2=C(C=CC=C2C)C)CC
InChI
InChI=1S/C17H27N3O/c1-5-19-10-11-20(6-2)15(12-19)17(21)18-16-13(3)8-7-9-14(16)4/h7-9,15H,5-6,10-12H2,1-4H3,(H,18,21)
InChIKey
LZFMGMCGDDSAAO-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1,4-diethylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 173.3
[M+Na]+ 312.20464 184.8
[M+NH4]+ 307.24924 180.1
[M+K]+ 328.17858 177.9
[M-H]- 288.20814 176.5
[M+Na-2H]- 310.19009 178.4
[M]+ 289.21487 175.6
[M]- 289.21597 175.6
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.