CID 505801

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

Structural Information

Molecular Formula
C15H7IN2O3
SMILES
C1=CC2=C(C(=C1)O)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)I
InChI
InChI=1S/C15H7IN2O3/c16-7-4-5-10-9(6-7)13(20)14-17-12-8(15(21)18(10)14)2-1-3-11(12)19/h1-6,19H
InChIKey
IBHLEOQGTNSRBN-UHFFFAOYSA-N
Compound name
4-hydroxy-8-iodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

389.95013 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.95741 157.1
[M+Na]+ 412.93935 163.3
[M-H]- 388.94285 153.9
[M+NH4]+ 407.98395 170.3
[M+K]+ 428.91329 163.3
[M+H-H2O]+ 372.94739 146.4
[M+HCOO]- 434.94833 171.4
[M+CH3COO]- 448.96398 166.0
[M+Na-2H]- 410.92480 152.8
[M]+ 389.94958 157.9
[M]- 389.95068 157.9
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