CID 98291

16340-50-4

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

CC1CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3

InChIKey

RZJRZAGATLWTMY-UHFFFAOYSA-N

Compound name

2-methyl-5,6-diphenyl-2,3-dihydropyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 248.13135 Da
Monoisotopic Mass: 2.9
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]+	249.138626	158.1
[M+Na]+	271.120568	165.7
[M-H]-	247.124074	164.8
[M+NH4]+	266.165173	172.1
[M+K]+	287.094508	159.9
[M+H-H2O]+	231.128610	147.8
[M+HCOO]-	293.129551	178.6
[M+CH3COO]-	307.145201	169.6
[M+Na-2H]-	269.106016	164.7
[M]+	248.13080142	155.7
[M]-	248.13189858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe