CID 478651

3,8-difluoro-indolo(2,1-b)quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H6F2N2O2
SMILES
C1=CC2=C(C=C1F)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)F
InChI
InChI=1S/C15H6F2N2O2/c16-7-2-4-12-10(5-7)13(20)14-18-11-6-8(17)1-3-9(11)15(21)19(12)14/h1-6H
InChIKey
SEZNGBCXCAHAEW-UHFFFAOYSA-N
Compound name
3,8-difluoroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe