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

literature stripe

Patent stripe

patents stripe