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]+ 276.207046 169.5
[M+Na]+ 298.188988 176.1
[M-H]- 274.192494 172.9
[M+NH4]+ 293.233593 183.1
[M+K]+ 314.162928 172.1
[M+H-H2O]+ 258.197030 160.8
[M+HCOO]- 320.197971 186.0
[M+CH3COO]- 334.213621 206.8
[M+Na-2H]- 296.174436 168.1
[M]+ 275.19922142 166.5
[M]- 275.20031858 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.