CID 505791

Schembl4586543

Structural Information

Molecular Formula
C15H5Br2IN2O2
SMILES
C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C=C(C=C4Br)Br)C(=O)N23
InChI
InChI=1S/C15H5Br2IN2O2/c16-6-3-9-12(10(17)4-6)19-14-13(21)8-5-7(18)1-2-11(8)20(14)15(9)22/h1-5H
InChIKey
FYMAQWCFXQLFLF-UHFFFAOYSA-N
Compound name
2,4-dibromo-8-iodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

529.77625 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.78353 162.7
[M+Na]+ 552.76547 171.0
[M-H]- 528.76897 164.9
[M+NH4]+ 547.81007 176.3
[M+K]+ 568.73941 161.4
[M+H-H2O]+ 512.77351 167.4
[M+HCOO]- 574.77445 172.6
[M+CH3COO]- 588.79010 173.0
[M+Na-2H]- 550.75092 160.9
[M]+ 529.77570 195.4
[M]- 529.77680 195.4
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