CID 256218

2,3-dihydro-5,6-diphenylpyrazine

Structural Information

Molecular Formula
C16H14N2
SMILES
C1CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
RKLPQDGVFVQQOT-UHFFFAOYSA-N
Compound name
5,6-diphenyl-2,3-dihydropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

234.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 153.3
[M+Na]+ 257.10491 160.3
[M-H]- 233.10841 159.7
[M+NH4]+ 252.14951 167.5
[M+K]+ 273.07885 154.7
[M+H-H2O]+ 217.11295 143.0
[M+HCOO]- 279.11389 174.1
[M+CH3COO]- 293.12954 164.8
[M+Na-2H]- 255.09036 161.1
[M]+ 234.11514 150.1
[M]- 234.11624 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe