CID 63474

Brn 0814096

Structural Information

Molecular Formula
C16H12BrFN2O
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H12BrFN2O/c1-2-15-19-14-8-5-11(18)9-13(14)16(21)20(15)12-6-3-10(17)4-7-12/h3-9H,2H2,1H3
InChIKey
YGAPXYUPHYHIFW-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-ethyl-6-fluoroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0117 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.01898 170.5
[M+Na]+ 369.00092 184.6
[M-H]- 345.00442 177.4
[M+NH4]+ 364.04552 186.5
[M+K]+ 384.97486 171.2
[M+H-H2O]+ 329.00896 167.4
[M+HCOO]- 391.00990 188.1
[M+CH3COO]- 405.02555 183.9
[M+Na-2H]- 366.98637 176.9
[M]+ 346.01115 190.0
[M]- 346.01225 190.0
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.