CID 3078504

4-methyl-n-(2,4,6-trimethylphenyl)-1-piperazineacetamide dihydrochloride

Structural Information

Molecular Formula
C16H25N3O
SMILES
CC1CN(CCN1CC(=O)N)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C16H25N3O/c1-11-7-12(2)16(13(3)8-11)19-6-5-18(10-15(17)20)14(4)9-19/h7-8,14H,5-6,9-10H2,1-4H3,(H2,17,20)
InChIKey
ZKDVEPOKDCATRQ-UHFFFAOYSA-N
Compound name
2-[2-methyl-4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 169.5
[M+Na]+ 298.18899 176.1
[M-H]- 274.19249 172.9
[M+NH4]+ 293.23359 183.1
[M+K]+ 314.16293 172.1
[M+H-H2O]+ 258.19703 160.8
[M+HCOO]- 320.19797 186.0
[M+CH3COO]- 334.21362 206.8
[M+Na-2H]- 296.17444 168.1
[M]+ 275.19922 166.5
[M]- 275.20032 166.5
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.