CID 505783

2,3,8-trifluoroindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H5F3N2O2
SMILES
C1=CC2=C(C=C1F)C(=O)C3=NC4=CC(=C(C=C4C(=O)N23)F)F
InChI
InChI=1S/C15H5F3N2O2/c16-6-1-2-12-8(3-6)13(21)14-19-11-5-10(18)9(17)4-7(11)15(22)20(12)14/h1-5H
InChIKey
CLKCDRJLGKFJMB-UHFFFAOYSA-N
Compound name
2,3,8-trifluoroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.0303 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03758 163.1
[M+Na]+ 325.01952 178.7
[M-H]- 301.02302 165.0
[M+NH4]+ 320.06412 181.3
[M+K]+ 340.99346 171.3
[M+H-H2O]+ 285.02756 152.9
[M+HCOO]- 347.02850 180.4
[M+CH3COO]- 361.04415 175.7
[M+Na-2H]- 323.00497 167.1
[M]+ 302.02975 164.2
[M]- 302.03085 164.2
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