CID 3066935

1-(2,4-dimethylallophanoyl)-4-(2-chlorophenyl)piperazine

Structural Information

Molecular Formula
C14H19ClN4O2
SMILES
CNC(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H19ClN4O2/c1-16-13(20)17(2)14(21)19-9-7-18(8-10-19)12-6-4-3-5-11(12)15/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKey
VILOPYIQWGNAGC-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.11966 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12694 169.9
[M+Na]+ 333.10888 180.2
[M+NH4]+ 328.15348 176.2
[M+K]+ 349.08282 175.0
[M-H]- 309.11238 172.6
[M+Na-2H]- 331.09433 175.5
[M]+ 310.11911 172.0
[M]- 310.12021 172.0
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

No patent data available for this compound.