CID 3066963

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

Structural Information

Molecular Formula
C16H21F3N4O3
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C16H21F3N4O3/c1-20(2)14(25)21(3)15(26)23-8-6-22(7-9-23)11-4-5-13(24)12(10-11)16(17,18)19/h4-5,10,24H,6-9H2,1-3H3
InChIKey
YJKWFQGFICQUKJ-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-4-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1566 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16388 182.5
[M+Na]+ 397.14582 187.3
[M+NH4]+ 392.19042 184.5
[M+K]+ 413.11976 185.7
[M-H]- 373.14932 179.1
[M+Na-2H]- 395.13127 183.9
[M]+ 374.15605 181.5
[M]- 374.15715 181.5
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.