CID 172414

Pyrazino[2,3-b:5,6-b']diquinoxaline, 5,12-dihydro-

Structural Information

Molecular Formula
C16H10N6
SMILES
C1=CC=C2C(=C1)NC3=NC4=NC5=CC=CC=C5N=C4N=C3N2
InChI
InChI=1S/C16H10N6/c1-2-6-10-9(5-1)17-13-14(18-10)22-16-15(21-13)19-11-7-3-4-8-12(11)20-16/h1-8H,(H,17,19,21)(H,18,20,22)
InChIKey
KJCRNHQXMXUTEB-UHFFFAOYSA-N
Compound name
2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,16,18,20-decaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1622
Patents

286.09668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.103956 167.3
[M+Na]+ 309.085898 178.8
[M-H]- 285.089404 164.2
[M+NH4]+ 304.130503 176.9
[M+K]+ 325.059838 168.4
[M+H-H2O]+ 269.093940 155.2
[M+HCOO]- 331.094881 176.8
[M+CH3COO]- 345.110531 175.5
[M+Na-2H]- 307.071346 180.5
[M]+ 286.09613142 164.8
[M]- 286.09722858 164.8
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