CID 12430649

2,3,5-triphenylpyrazine

Structural Information

Molecular Formula
C22H16N2
SMILES
C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2/c1-4-10-17(11-5-1)20-16-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19/h1-16H
InChIKey
OCQQXLPLQWPKFG-UHFFFAOYSA-N
Compound name
2,3,5-triphenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4519
Patents

308.13135 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13863 174.9
[M+Na]+ 331.12057 182.3
[M-H]- 307.12407 184.2
[M+NH4]+ 326.16517 185.4
[M+K]+ 347.09451 174.4
[M+H-H2O]+ 291.12861 162.6
[M+HCOO]- 353.12955 195.8
[M+CH3COO]- 367.14520 185.2
[M+Na-2H]- 329.10602 181.9
[M]+ 308.13080 172.5
[M]- 308.13190 172.5
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