CID 478575

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

Structural Information

Molecular Formula
C15H7ClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)Cl)C(=O)C3=N2
InChI
InChI=1S/C15H7ClN2O2/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
WUCIHZUJKXUKMW-UHFFFAOYSA-N
Compound name
8-chloroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

282.0196 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.02688 159.9
[M+Na]+ 305.00882 174.4
[M-H]- 281.01232 164.8
[M+NH4]+ 300.05342 179.4
[M+K]+ 320.98276 167.1
[M+H-H2O]+ 265.01686 152.5
[M+HCOO]- 327.01780 175.9
[M+CH3COO]- 341.03345 173.2
[M+Na-2H]- 302.99427 166.7
[M]+ 282.01905 165.4
[M]- 282.02015 165.4
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