CID 108611

54600-85-0

Structural Information

Molecular Formula

C₁₈H₁₆N₂

SMILES

CC1=C(N=C(C(=N1)C2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3

InChIKey

QMTUIVOFVMSPAE-UHFFFAOYSA-N

Compound name

2,5-dimethyl-3,6-diphenylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 260.13135 Da
Monoisotopic Mass: 3.9
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]+	261.13863	162.2
[M+Na]+	283.12057	181.1
[M+NH4]+	278.16517	171.8
[M+K]+	299.09451	170.9
[M-H]-	259.12407	169.6
[M+Na-2H]-	281.10602	175.5
[M]+	260.13080	167.4
[M]-	260.13190	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe