CID 505811

1,3-dichloroindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H6Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=C(C(=CC(=C4)Cl)Cl)C(=O)N23
InChI
InChI=1S/C15H6Cl2N2O2/c16-7-5-9(17)12-10(6-7)18-14-13(20)8-3-1-2-4-11(8)19(14)15(12)21/h1-6H
InChIKey
NADGVZHTNFPXKT-UHFFFAOYSA-N
Compound name
1,3-dichloroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.98062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98790 166.8
[M+Na]+ 338.96984 182.3
[M-H]- 314.97334 171.1
[M+NH4]+ 334.01444 185.5
[M+K]+ 354.94378 174.3
[M+H-H2O]+ 298.97788 159.9
[M+HCOO]- 360.97882 177.5
[M+CH3COO]- 374.99447 179.5
[M+Na-2H]- 336.95529 171.9
[M]+ 315.98007 173.8
[M]- 315.98117 173.8
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.