CID 478643

Chembl3087009

Structural Information

Molecular Formula
C15H6F2N2O2
SMILES
C1=CC2=C(C=C1F)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2
InChI
InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
InChIKey
PNIGSYVPVQBQOJ-UHFFFAOYSA-N
Compound name
2,8-difluoroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

284.03973 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04701 159.4
[M+Na]+ 307.02895 174.2
[M-H]- 283.03245 162.3
[M+NH4]+ 302.07355 178.1
[M+K]+ 323.00289 167.2
[M+H-H2O]+ 267.03699 149.9
[M+HCOO]- 329.03793 177.9
[M+CH3COO]- 343.05358 172.3
[M+Na-2H]- 305.01440 164.8
[M]+ 284.03918 161.2
[M]- 284.04028 161.2
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