CID 505860

3-fluoro-8-(trifluoromethoxy)indolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C16H6F4N2O3
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C3=NC4=C(C=CC(=C4)F)C(=O)N23
InChI
InChI=1S/C16H6F4N2O3/c17-7-1-3-9-11(5-7)21-14-13(23)10-6-8(25-16(18,19)20)2-4-12(10)22(14)15(9)24/h1-6H
InChIKey
KEHDGBIHPULQBU-UHFFFAOYSA-N
Compound name
3-fluoro-8-(trifluoromethoxy)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

350.03146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03874 176.0
[M+Na]+ 373.02068 190.5
[M-H]- 349.02418 176.3
[M+NH4]+ 368.06528 191.8
[M+K]+ 388.99462 183.7
[M+H-H2O]+ 333.02872 165.0
[M+HCOO]- 395.02966 190.3
[M+CH3COO]- 409.04531 187.1
[M+Na-2H]- 371.00613 180.7
[M]+ 350.03091 176.7
[M]- 350.03201 176.7
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