CID 3039028

42055-80-1

Structural Information

Molecular Formula

C₁₈H₁₉F₃N₄O₂

SMILES

C1CCN(CC1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-4-5-12(9-13)17-22-14(11-16(26)24-27)10-15(23-17)25-7-2-1-3-8-25/h4-6,9-10,27H,1-3,7-8,11H2,(H,24,26)

InChIKey

KMCPBXWINUEVMA-UHFFFAOYSA-N

Compound name

N-hydroxy-2-[6-piperidin-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.146 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	381.153276	188.7
[M+Na]+	403.135218	193.7
[M-H]-	379.138724	188.4
[M+NH4]+	398.179823	194.6
[M+K]+	419.109158	187.3
[M+H-H2O]+	363.143260	175.0
[M+HCOO]-	425.144201	198.8
[M+CH3COO]-	439.159851	216.5
[M+Na-2H]-	401.120666	190.2
[M]+	380.14545142	180.1
[M]-	380.14654858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.