CID 3066948

1-(p-fluorophenyl)-4-(2,4,4-trimethylallophanoyl)piperazine

Structural Information

Molecular Formula
C15H21FN4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H21FN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChIKey
CRZTWJRFWHQSIQ-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.16486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17214 171.1
[M+Na]+ 331.15408 179.5
[M+NH4]+ 326.19868 176.3
[M+K]+ 347.12802 175.6
[M-H]- 307.15758 172.5
[M+Na-2H]- 329.13953 175.8
[M]+ 308.16431 172.1
[M]- 308.16541 172.1
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