CID 2746605

Ns00016697

Structural Information

Molecular Formula

C₁₅H₁₀F₆N₄O

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NN=C(C2=NC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C15H10F6N4O/c16-14(17,18)9-3-1-2-8(6-9)13(26)25-24-12(22)11-5-4-10(7-23-11)15(19,20)21/h1-7H,(H2,22,24)(H,25,26)

InChIKey

JHWLMNOXQLTFAJ-UHFFFAOYSA-N

Compound name

N-[[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]-3-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 376.07587 Da
Monoisotopic Mass: 3.3
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]+	377.083146	179.2
[M+Na]+	399.065088	186.6
[M-H]-	375.068594	178.0
[M+NH4]+	394.109693	189.0
[M+K]+	415.039028	181.4
[M+H-H2O]+	359.073130	165.4
[M+HCOO]-	421.074071	194.7
[M+CH3COO]-	435.089721	223.5
[M+Na-2H]-	397.050536	181.9
[M]+	376.07532142	169.1
[M]-	376.07641858	169.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.