CID 478578

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

Structural Information

Molecular Formula
C15H7IN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)I)C(=O)C3=N2
InChI
InChI=1S/C15H7IN2O2/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
BBGAOZGNPWPXNH-UHFFFAOYSA-N
Compound name
8-iodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

373.95523 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.96251 151.9
[M+Na]+ 396.94445 158.0
[M-H]- 372.94795 149.6
[M+NH4]+ 391.98905 166.2
[M+K]+ 412.91839 158.0
[M+H-H2O]+ 356.95249 140.7
[M+HCOO]- 418.95343 167.6
[M+CH3COO]- 432.96908 161.4
[M+Na-2H]- 394.92990 148.6
[M]+ 373.95468 152.6
[M]- 373.95578 152.6
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