CID 478576

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

Structural Information

Molecular Formula
C16H10N2O3
SMILES
COC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4C3=O)C2=O
InChI
InChI=1S/C16H10N2O3/c1-21-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
InChIKey
JSFCSMAECCMIIU-UHFFFAOYSA-N
Compound name
8-methoxyindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

278.06915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07643 160.4
[M+Na]+ 301.05837 173.4
[M-H]- 277.06187 165.5
[M+NH4]+ 296.10297 179.1
[M+K]+ 317.03231 168.0
[M+H-H2O]+ 261.06641 152.3
[M+HCOO]- 323.06735 180.8
[M+CH3COO]- 337.08300 173.6
[M+Na-2H]- 299.04382 167.4
[M]+ 278.06860 165.4
[M]- 278.06970 165.4
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

No patent data available for this compound.