CID 461371

Hamacanthin a

Structural Information

Molecular Formula
C20H14Br2N4O
SMILES
C1C(NC(=O)C(=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)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,26,27)
InChIKey
LJVUNJVGWMVCQH-UHFFFAOYSA-N
Compound name
2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

483.95343 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.