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 173.6
[M+Na]+ 312.20464 178.8
[M-H]- 288.20814 176.9
[M+NH4]+ 307.24924 186.5
[M+K]+ 328.17858 174.8
[M+H-H2O]+ 272.21268 164.3
[M+HCOO]- 334.21362 190.4
[M+CH3COO]- 348.22927 208.4
[M+Na-2H]- 310.19009 173.4
[M]+ 289.21487 171.3
[M]- 289.21597 171.3
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.