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 184.5
[M+Na]+ 397.14582 188.9
[M-H]- 373.14932 185.6
[M+NH4]+ 392.19042 193.8
[M+K]+ 413.11976 187.6
[M+H-H2O]+ 357.15386 172.9
[M+HCOO]- 419.15480 197.2
[M+CH3COO]- 433.17045 223.9
[M+Na-2H]- 395.13127 182.9
[M]+ 374.15605 179.0
[M]- 374.15715 179.0
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.