CID 460040

Schembl17244030

Structural Information

Molecular Formula
C20H14Br2N4O
SMILES
C1C(N=C(C(=O)N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br
InChI
InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)
InChIKey
MYXLDFYXMNSXDR-UHFFFAOYSA-N
Compound name
3,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

483.95343 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.96071 184.4
[M+Na]+ 506.94265 195.7
[M-H]- 482.94615 191.8
[M+NH4]+ 501.98725 196.5
[M+K]+ 522.91659 179.5
[M+H-H2O]+ 466.95069 192.3
[M+HCOO]- 528.95163 194.3
[M+CH3COO]- 542.96728 194.8
[M+Na-2H]- 504.92810 186.7
[M]+ 483.95288 216.2
[M]- 483.95398 216.2
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