CID 63783

Brn 0827768

Structural Information

Molecular Formula
C15H10FN3O3
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10FN3O3/c1-9-17-14-7-2-10(16)8-13(14)15(20)18(9)11-3-5-12(6-4-11)19(21)22/h2-8H,1H3
InChIKey
JKQJYQQUAAXVQU-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-3-(4-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 164.2
[M+Na]+ 322.05984 174.4
[M-H]- 298.06334 169.0
[M+NH4]+ 317.10444 176.9
[M+K]+ 338.03378 165.1
[M+H-H2O]+ 282.06788 158.3
[M+HCOO]- 344.06882 185.4
[M+CH3COO]- 358.08447 199.4
[M+Na-2H]- 320.04529 172.2
[M]+ 299.07007 163.5
[M]- 299.07117 163.5
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.