CID 3066990

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

Structural Information

Molecular Formula
C20H21F3N4O2
SMILES
CN(C(=O)NC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H21F3N4O2/c1-25(18(28)24-16-7-3-2-4-8-16)19(29)27-12-10-26(11-13-27)17-9-5-6-15(14-17)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,28)
InChIKey
WBXLTEIQUVCAOU-UHFFFAOYSA-N
Compound name
N-methyl-N-(phenylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.16165 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16893 190.2
[M+Na]+ 429.15087 197.3
[M+NH4]+ 424.19547 193.3
[M+K]+ 445.12481 193.1
[M-H]- 405.15437 189.9
[M+Na-2H]- 427.13632 195.4
[M]+ 406.16110 190.5
[M]- 406.16220 190.5
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.