CID 505790

2,4,8-triiodoindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H5I3N2O2
SMILES
C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C=C(C=C4I)I)C(=O)N23
InChI
InChI=1S/C15H5I3N2O2/c16-6-1-2-11-8(3-6)13(21)14-19-12-9(15(22)20(11)14)4-7(17)5-10(12)18/h1-5H
InChIKey
PSKBWWZKPVFSLV-UHFFFAOYSA-N
Compound name
2,4,8-triiodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

625.7485 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.75578 160.6
[M+Na]+ 648.73772 152.3
[M-H]- 624.74122 151.0
[M+NH4]+ 643.78232 162.8
[M+K]+ 664.71166 163.3
[M+H-H2O]+ 608.74576 147.6
[M+HCOO]- 670.74670 164.0
[M+CH3COO]- 684.76235 160.5
[M+Na-2H]- 646.72317 148.5
[M]+ 625.74795 156.9
[M]- 625.74905 156.9
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

patents stripe