CID 505841

8-(trifluoromethyl)indolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C16H7F3N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)C(F)(F)F)C(=O)C3=N2
InChI
InChI=1S/C16H7F3N2O2/c17-16(18,19)8-5-6-12-10(7-8)13(22)14-20-11-4-2-1-3-9(11)15(23)21(12)14/h1-7H
InChIKey
GAARSXQWGXXCAD-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

316.04596 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05324 169.4
[M+Na]+ 339.03518 183.3
[M-H]- 315.03868 170.7
[M+NH4]+ 334.07978 186.6
[M+K]+ 355.00912 176.2
[M+H-H2O]+ 299.04322 159.2
[M+HCOO]- 361.04416 184.7
[M+CH3COO]- 375.05981 181.0
[M+Na-2H]- 337.02063 175.2
[M]+ 316.04541 169.4
[M]- 316.04651 169.4
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