CID 3044718

4-pyrimidineacetamide, n-hydroxy-6-((4-(1-piperidinylcarbonyl)phenyl)amino)-2-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C25H24F3N5O3
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=C3)CC(=O)NO)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C25H24F3N5O3/c26-25(27,28)18-6-4-5-17(13-18)23-30-20(15-22(34)32-36)14-21(31-23)29-19-9-7-16(8-10-19)24(35)33-11-2-1-3-12-33/h4-10,13-14,36H,1-3,11-12,15H2,(H,32,34)(H,29,30,31)
InChIKey
FZTJTMDOLZZOGB-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-[4-(piperidine-1-carbonyl)anilino]-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.18314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.19042 216.5
[M+Na]+ 522.17236 219.2
[M-H]- 498.17586 219.0
[M+NH4]+ 517.21696 216.4
[M+K]+ 538.14630 212.0
[M+H-H2O]+ 482.18040 200.8
[M+HCOO]- 544.18134 225.7
[M+CH3COO]- 558.19699 241.5
[M+Na-2H]- 520.15781 216.5
[M]+ 499.18259 207.5
[M]- 499.18369 207.5
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.