CID 3066944

1-(2-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=C2Cl
InChI
InChI=1S/C15H21ClN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3
InChIKey
YULZKLOJFBGPMY-UHFFFAOYSA-N
Compound name
4-(2-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 175.1
[M+Na]+ 347.12452 179.6
[M-H]- 323.12802 181.0
[M+NH4]+ 342.16912 187.8
[M+K]+ 363.09846 177.8
[M+H-H2O]+ 307.13256 165.9
[M+HCOO]- 369.13350 189.7
[M+CH3COO]- 383.14915 215.7
[M+Na-2H]- 345.10997 175.3
[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.