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]+ 305.19718 173.8
[M+Na]+ 327.17912 176.1
[M-H]- 303.18262 179.2
[M+NH4]+ 322.22372 186.0
[M+K]+ 343.15306 175.7
[M+H-H2O]+ 287.18716 163.4
[M+HCOO]- 349.18810 192.5
[M+CH3COO]- 363.20375 213.9
[M+Na-2H]- 325.16457 174.5
[M]+ 304.18935 171.7
[M]- 304.19045 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.