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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 158.1
[M+Na]+ 271.12057 165.7
[M-H]- 247.12407 164.8
[M+NH4]+ 266.16517 172.1
[M+K]+ 287.09451 159.9
[M+H-H2O]+ 231.12861 147.8
[M+HCOO]- 293.12955 178.6
[M+CH3COO]- 307.14520 169.6
[M+Na-2H]- 269.10602 164.7
[M]+ 248.13080 155.7
[M]- 248.13190 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe