CID 505821

Schembl4585174

Structural Information

Molecular Formula
C22H13FN2O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2N=C4C(=O)C5=C(N4C3=O)C=CC(=C5)F
InChI
InChI=1S/C22H13FN2O3/c23-14-9-10-17-16(11-14)20(26)21-24-19-15(22(27)25(17)21)7-4-8-18(19)28-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKey
BLZUGSSQHNOJFU-UHFFFAOYSA-N
Compound name
8-fluoro-4-phenylmethoxyindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

372.09103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09831 187.3
[M+Na]+ 395.08025 199.5
[M-H]- 371.08375 193.9
[M+NH4]+ 390.12485 201.4
[M+K]+ 411.05419 191.8
[M+H-H2O]+ 355.08829 176.0
[M+HCOO]- 417.08923 205.4
[M+CH3COO]- 431.10488 198.1
[M+Na-2H]- 393.06570 191.5
[M]+ 372.09048 190.8
[M]- 372.09158 190.8
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