CID 505788

2,8-diiodoindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H6I2N2O2
SMILES
C1=CC2=C(C=C1I)C(=O)N3C4=C(C=C(C=C4)I)C(=O)C3=N2
InChI
InChI=1S/C15H6I2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
InChIKey
UDIKOBCSUKVNQY-UHFFFAOYSA-N
Compound name
2,8-diiodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

499.85187 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.85915 153.2
[M+Na]+ 522.84109 151.3
[M-H]- 498.84459 145.4
[M+NH4]+ 517.88569 161.0
[M+K]+ 538.81503 157.7
[M+H-H2O]+ 482.84913 140.2
[M+HCOO]- 544.85007 162.5
[M+CH3COO]- 558.86572 157.7
[M+Na-2H]- 520.82654 143.8
[M]+ 499.85132 151.4
[M]- 499.85242 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe