CID 505789

169038-38-4

Structural Information

Molecular Formula
C16H9IN2O3
SMILES
COC1=CC=CC2=C1N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)I
InChI
InChI=1S/C16H9IN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3
InChIKey
BODHONFKPSQHDK-UHFFFAOYSA-N
Compound name
8-iodo-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

403.9658 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.97308 160.9
[M+Na]+ 426.95502 167.1
[M-H]- 402.95852 158.8
[M+NH4]+ 421.99962 174.1
[M+K]+ 442.92896 167.6
[M+H-H2O]+ 386.96306 149.6
[M+HCOO]- 448.96400 176.2
[M+CH3COO]- 462.97965 170.0
[M+Na-2H]- 424.94047 156.4
[M]+ 403.96525 163.5
[M]- 403.96635 163.5
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