CID 478572

8-bromoindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H7BrN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)Br)C(=O)C3=N2
InChI
InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
InChIKey
INPHXCCBDRGBRF-UHFFFAOYSA-N
Compound name
8-bromoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

18
Patents

325.9691 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97638 165.0
[M+Na]+ 348.95832 180.8
[M-H]- 324.96182 172.6
[M+NH4]+ 344.00292 185.5
[M+K]+ 364.93226 168.2
[M+H-H2O]+ 308.96636 164.2
[M+HCOO]- 370.96730 183.4
[M+CH3COO]- 384.98295 179.7
[M+Na-2H]- 346.94377 172.9
[M]+ 325.96855 186.6
[M]- 325.96965 186.6
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