CID 478644

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

Structural Information

Molecular Formula
C15H7BrN2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)Br)C(=O)N23
InChI
InChI=1S/C15H7BrN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7H
InChIKey
CPZULIGVBXZLGC-UHFFFAOYSA-N
Compound name
2-bromoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
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