CID 505785

1,3-dichloro-8-iodo-indolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H5Cl2IN2O2
SMILES
C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C(=CC(=C4)Cl)Cl)C(=O)N23
InChI
InChI=1S/C15H5Cl2IN2O2/c16-6-3-9(17)12-10(4-6)19-14-13(21)8-5-7(18)1-2-11(8)20(14)15(12)22/h1-5H
InChIKey
VBLCBCPETGFBIA-UHFFFAOYSA-N
Compound name
1,3-dichloro-8-iodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.8773 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.88458 161.6
[M+Na]+ 464.86652 170.4
[M-H]- 440.87002 159.0
[M+NH4]+ 459.91112 175.1
[M+K]+ 480.84046 168.5
[M+H-H2O]+ 424.87456 151.8
[M+HCOO]- 486.87550 168.2
[M+CH3COO]- 500.89115 170.7
[M+Na-2H]- 462.85197 156.3
[M]+ 441.87675 166.3
[M]- 441.87785 166.3
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.