CID 6482696

Schembl5000809

Structural Information

Molecular Formula

C₁₅H₁₁F₂N₃O

SMILES

C1=COC(=C1)CNC2=NC(=CN=C2)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C15H11F2N3O/c16-10-3-4-12(13(17)6-10)14-8-18-9-15(20-14)19-7-11-2-1-5-21-11/h1-6,8-9H,7H2,(H,19,20)

InChIKey

DCUDFZVNSZDOIB-UHFFFAOYSA-N

Compound name

6-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)pyrazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 287.087 Da
Monoisotopic Mass: 2.6
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]+	288.09428	161.6
[M+Na]+	310.07622	171.2
[M-H]-	286.07972	167.4
[M+NH4]+	305.12082	174.5
[M+K]+	326.05016	166.5
[M+H-H2O]+	270.08426	150.1
[M+HCOO]-	332.08520	183.3
[M+CH3COO]-	346.10085	173.4
[M+Na-2H]-	308.06167	166.4
[M]+	287.08645	160.7
[M]-	287.08755	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe