CID 3066940

1-(2,4-dimethylallophanoyl)-4-(m-trifluoromethylphenyl)piperazine

Structural Information

Molecular Formula
C15H19F3N4O2
SMILES
CNC(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H19F3N4O2/c1-19-13(23)20(2)14(24)22-8-6-21(7-9-22)12-5-3-4-11(10-12)15(16,17)18/h3-5,10H,6-9H2,1-2H3,(H,19,23)
InChIKey
COBRAKDQYDEVHF-UHFFFAOYSA-N
Compound name
N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15328 178.2
[M+Na]+ 367.13522 182.4
[M-H]- 343.13872 178.9
[M+NH4]+ 362.17982 188.5
[M+K]+ 383.10916 180.0
[M+H-H2O]+ 327.14326 166.2
[M+HCOO]- 389.14420 191.9
[M+CH3COO]- 403.15985 216.5
[M+Na-2H]- 365.12067 178.5
[M]+ 344.14545 170.9
[M]- 344.14655 170.9
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