CID 63472

Brn 0829813

Structural Information

Molecular Formula
C15H10FN3O3
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10FN3O3/c1-9-17-14-6-5-10(16)7-13(14)15(20)18(9)11-3-2-4-12(8-11)19(21)22/h2-8H,1H3
InChIKey
XEVOZHZXVHONEM-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-3-(3-nitrophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07790 161.7
[M+Na]+ 322.05984 178.6
[M+NH4]+ 317.10444 168.8
[M+K]+ 338.03378 173.7
[M-H]- 298.06334 165.7
[M+Na-2H]- 320.04529 170.0
[M]+ 299.07007 165.2
[M]- 299.07117 165.2
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

No patent data available for this compound.