CID 619180

5,6-diphenylpyrazin-2-ol

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C(C=C1)C2=C(N=CC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-11H,(H,18,19)
InChIKey
LTWBZUZTTUVPIM-UHFFFAOYSA-N
Compound name
5,6-diphenyl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

128
Patents

248.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 155.6
[M+Na]+ 271.08418 164.4
[M-H]- 247.08768 161.6
[M+NH4]+ 266.12878 168.8
[M+K]+ 287.05812 157.7
[M+H-H2O]+ 231.09222 145.8
[M+HCOO]- 293.09316 176.7
[M+CH3COO]- 307.10881 167.3
[M+Na-2H]- 269.06963 163.3
[M]+ 248.09441 153.2
[M]- 248.09551 153.2
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