CID 505792

Schembl9106540

Structural Information

Molecular Formula
C18H10I2N2O4
SMILES
CCOC(=O)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=C(C=C4I)I)C2=O
InChI
InChI=1S/C18H10I2N2O4/c1-2-26-18(25)8-3-4-13-10(5-8)15(23)16-21-14-11(17(24)22(13)16)6-9(19)7-12(14)20/h3-7H,2H2,1H3
InChIKey
CWYWRUWQOZHONR-UHFFFAOYSA-N
Compound name
ethyl 2,4-diiodo-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

571.873 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.88028 172.3
[M+Na]+ 594.86222 169.5
[M-H]- 570.86572 164.6
[M+NH4]+ 589.90682 177.6
[M+K]+ 610.83616 176.6
[M+H-H2O]+ 554.87026 159.0
[M+HCOO]- 616.87120 180.1
[M+CH3COO]- 630.88685 175.4
[M+Na-2H]- 592.84767 160.3
[M]+ 571.87245 172.6
[M]- 571.87355 172.6
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