CID 3066933

1-piperazinecarboxamide, n-((methylamino)carbonyl)-4-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C14H17F3N4O2
SMILES
CNC(=O)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H17F3N4O2/c1-18-12(22)19-13(23)21-7-5-20(6-8-21)11-4-2-3-10(9-11)14(15,16)17/h2-4,9H,5-8H2,1H3,(H2,18,19,22,23)
InChIKey
DKSFCNMOTRIIMD-UHFFFAOYSA-N
Compound name
N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13765 172.0
[M+Na]+ 353.11959 177.5
[M+NH4]+ 348.16419 174.7
[M+K]+ 369.09353 174.4
[M-H]- 329.12309 168.9
[M+Na-2H]- 351.10504 174.5
[M]+ 330.12982 171.1
[M]- 330.13092 171.1
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

No patent data available for this compound.