CID 3066945

1-(3-chlorophenyl)-4-(2,4,4-trimethylallophanoyl)piperazine

Structural Information

Molecular Formula
C15H21ClN4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H21ClN4O2/c1-17(2)14(21)18(3)15(22)20-9-7-19(8-10-20)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3
InChIKey
RVNRQXOUZUJWIG-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1353 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14258 173.2
[M+Na]+ 347.12452 183.5
[M+NH4]+ 342.16912 179.5
[M+K]+ 363.09846 178.7
[M-H]- 323.12802 176.2
[M+Na-2H]- 345.10997 178.9
[M]+ 324.13475 175.4
[M]- 324.13585 175.4
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.