CID 478649

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

Structural Information

Molecular Formula
C17H11FN2O2
SMILES
CC1=CC(=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2)C
InChI
InChI=1S/C17H11FN2O2/c1-8-5-9(2)14-12(6-8)17(22)20-13-4-3-10(18)7-11(13)15(21)16(20)19-14/h3-7H,1-2H3
InChIKey
WGQNOVHKRYKTET-UHFFFAOYSA-N
Compound name
8-fluoro-2,4-dimethylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

294.08044 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08772 166.2
[M+Na]+ 317.06966 180.8
[M-H]- 293.07316 170.5
[M+NH4]+ 312.11426 184.9
[M+K]+ 333.04360 174.0
[M+H-H2O]+ 277.07770 157.6
[M+HCOO]- 339.07864 184.9
[M+CH3COO]- 353.09429 179.2
[M+Na-2H]- 315.05511 170.4
[M]+ 294.07989 170.0
[M]- 294.08099 170.0
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.