CID 5742814

8-bromo-11h-indolo[3,2-c]cinnoline

Structural Information

Molecular Formula
C14H8BrN3
SMILES
C1=CC=C2C(=C1)C3=C(C4=C(N3)C=CC(=C4)Br)N=N2
InChI
InChI=1S/C14H8BrN3/c15-8-5-6-11-10(7-8)14-13(16-11)9-3-1-2-4-12(9)17-18-14/h1-7,16H
InChIKey
DNPGYKKXIOQETE-UHFFFAOYSA-N
Compound name
8-bromo-11H-indolo[3,2-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.99017 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.99745 158.0
[M+Na]+ 319.97939 174.0
[M-H]- 295.98289 163.3
[M+NH4]+ 315.02399 177.7
[M+K]+ 335.95333 160.3
[M+H-H2O]+ 279.98743 157.1
[M+HCOO]- 341.98837 176.3
[M+CH3COO]- 356.00402 172.5
[M+Na-2H]- 317.96484 169.3
[M]+ 296.98962 178.8
[M]- 296.99072 178.8
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

No patent data available for this compound.