CID 6482656

Schembl5988470

Structural Information

Molecular Formula

C₁₉H₁₈FN₃O₃

SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC(=CN=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H18FN3O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12/h4-11H,1-3H3,(H,22,23)

InChIKey

XVKVCGWYGXXFGR-UHFFFAOYSA-N

Compound name

6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 355.1332 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]+	356.14048	183.9
[M+Na]+	378.12242	192.9
[M-H]-	354.12592	190.3
[M+NH4]+	373.16702	193.6
[M+K]+	394.09636	188.0
[M+H-H2O]+	338.13046	171.5
[M+HCOO]-	400.13140	205.4
[M+CH3COO]-	414.14705	217.9
[M+Na-2H]-	376.10787	187.9
[M]+	355.13265	187.3
[M]-	355.13375	187.3

Literature stripe

literature stripe

Patent stripe

patents stripe