CID 479332

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

Structural Information

Molecular Formula
C16H7F3N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)OC(F)(F)F)C(=O)C3=N2
InChI
InChI=1S/C16H7F3N2O3/c17-16(18,19)24-8-5-6-12-10(7-8)13(22)14-20-11-4-2-1-3-9(11)15(23)21(12)14/h1-7H
InChIKey
YJOZDGYIAFCBEF-UHFFFAOYSA-N
Compound name
8-(trifluoromethoxy)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

332.04086 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04814 172.3
[M+Na]+ 355.03008 185.8
[M-H]- 331.03358 173.6
[M+NH4]+ 350.07468 188.7
[M+K]+ 371.00402 179.5
[M+H-H2O]+ 315.03812 162.0
[M+HCOO]- 377.03906 187.7
[M+CH3COO]- 391.05471 183.7
[M+Na-2H]- 353.01553 178.3
[M]+ 332.04031 173.7
[M]- 332.04141 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe