CID 478648

8-fluoro-4-methoxyindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C16H9FN2O3
SMILES
COC1=CC=CC2=C1N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)F
InChI
InChI=1S/C16H9FN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3
InChIKey
XBCSEDAOBYWIIN-UHFFFAOYSA-N
Compound name
8-fluoro-4-methoxyindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.05972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06700 164.0
[M+Na]+ 319.04894 177.9
[M-H]- 295.05244 168.1
[M+NH4]+ 314.09354 182.2
[M+K]+ 335.02288 172.0
[M+H-H2O]+ 279.05698 155.2
[M+HCOO]- 341.05792 183.3
[M+CH3COO]- 355.07357 176.9
[M+Na-2H]- 317.03439 169.6
[M]+ 296.05917 168.5
[M]- 296.06027 168.5
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