CID 3066959

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

Structural Information

Molecular Formula
C15H20Cl2N4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H20Cl2N4O2/c1-18(2)14(22)19(3)15(23)21-8-6-20(7-9-21)11-4-5-12(16)13(17)10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
ZEJXZBSRHOAWMZ-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.09634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10362 178.3
[M+Na]+ 381.08556 189.6
[M+NH4]+ 376.13016 184.7
[M+K]+ 397.05950 184.1
[M-H]- 357.08906 181.2
[M+Na-2H]- 379.07101 183.7
[M]+ 358.09579 181.0
[M]- 358.09689 181.0
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

patents stripe