CID 3044716

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

Structural Information

Molecular Formula
C20H16F3N5O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CC(=N2)NC3=CC=C(C=C3)C(=O)N)CC(=O)NO
InChI
InChI=1S/C20H16F3N5O3/c21-20(22,23)13-3-1-2-12(8-13)19-26-15(10-17(29)28-31)9-16(27-19)25-14-6-4-11(5-7-14)18(24)30/h1-9,31H,10H2,(H2,24,30)(H,28,29)(H,25,26,27)
InChIKey
FPZHSTQYSIYEJF-UHFFFAOYSA-N
Compound name
4-[[6-[2-(hydroxyamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1205 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12778 197.6
[M+Na]+ 454.10972 203.6
[M-H]- 430.11322 199.6
[M+NH4]+ 449.15432 202.1
[M+K]+ 470.08366 197.5
[M+H-H2O]+ 414.11776 184.2
[M+HCOO]- 476.11870 213.6
[M+CH3COO]- 490.13435 232.5
[M+Na-2H]- 452.09517 199.8
[M]+ 431.11995 191.7
[M]- 431.12105 191.7
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.