CID 479337

8-iodo-10b-hydroindolino[1,2-a]pyridino[4,3-d]pyrimidine-6,11-dione

Structural Information

Molecular Formula
C14H6IN3O2
SMILES
C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C=NC=C4)C(=O)N23
InChI
InChI=1S/C14H6IN3O2/c15-7-1-2-11-8(5-7)12(19)13-17-10-3-4-16-6-9(10)14(20)18(11)13/h1-6H
InChIKey
BAAPFNCUWHKNTK-UHFFFAOYSA-N
Compound name
14-iodo-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.95047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.95775 150.9
[M+Na]+ 397.93969 157.4
[M-H]- 373.94319 147.4
[M+NH4]+ 392.98429 163.8
[M+K]+ 413.91363 157.4
[M+H-H2O]+ 357.94773 139.2
[M+HCOO]- 419.94867 165.7
[M+CH3COO]- 433.96432 160.1
[M+Na-2H]- 395.92514 148.2
[M]+ 374.94992 151.8
[M]- 374.95102 151.8
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

No patent data available for this compound.