CID 3066972

1-benzyl-4-(2,4,4-trimethylallophanoyl)piperazine

Structural Information

Molecular Formula
C16H24N4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N4O2/c1-17(2)15(21)18(3)16(22)20-11-9-19(10-12-20)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKey
JBFSNBYVTHNEIG-UHFFFAOYSA-N
Compound name
4-benzyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1899 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.197176 173.8
[M+Na]+ 327.179118 176.1
[M-H]- 303.182624 179.2
[M+NH4]+ 322.223723 186.0
[M+K]+ 343.153058 175.7
[M+H-H2O]+ 287.187160 163.4
[M+HCOO]- 349.188101 192.5
[M+CH3COO]- 363.203751 213.9
[M+Na-2H]- 325.164566 174.5
[M]+ 304.18935142 171.7
[M]- 304.19044858 171.7
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.