CID 2727527

Oprea1_433853

Structural Information

Molecular Formula

C₁₄H₁₀FN₅O

SMILES

C1=CC2=C(C(=C1)F)C(=N)N(C=N2)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C14H10FN5O/c15-10-2-1-3-11-12(10)13(16)20(8-18-11)19-14(21)9-4-6-17-7-5-9/h1-8,16H,(H,19,21)

InChIKey

IJOICRJECZOHNZ-UHFFFAOYSA-N

Compound name

N-(5-fluoro-4-iminoquinazolin-3-yl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 283.08694 Da
Monoisotopic Mass: 1.2
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]+	284.094216	161.8
[M+Na]+	306.076158	171.3
[M-H]-	282.079664	164.8
[M+NH4]+	301.120763	173.8
[M+K]+	322.050098	165.0
[M+H-H2O]+	266.084200	150.7
[M+HCOO]-	328.085141	182.4
[M+CH3COO]-	342.100791	172.6
[M+Na-2H]-	304.061606	170.5
[M]+	283.08639142	159.4
[M]-	283.08748858	159.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.