CID 505796

Schembl4585818

Structural Information

Molecular Formula
C15H4Br2ClIN2O2
SMILES
C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C(=C(C=C4Br)Br)Cl)C(=O)N23
InChI
InChI=1S/C15H4Br2ClIN2O2/c16-7-4-8(17)12-10(11(7)18)15(23)21-9-2-1-5(19)3-6(9)13(22)14(21)20-12/h1-4H
InChIKey
KMJJUBFMYBWKRE-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-chloro-8-iodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

563.7373 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.74458 166.0
[M+Na]+ 586.72652 176.0
[M-H]- 562.73002 168.4
[M+NH4]+ 581.77112 179.6
[M+K]+ 602.70046 165.1
[M+H-H2O]+ 546.73456 171.2
[M+HCOO]- 608.73550 172.5
[M+CH3COO]- 622.75115 176.4
[M+Na-2H]- 584.71197 163.7
[M]+ 563.73675 200.4
[M]- 563.73785 200.4
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