CID 63146

Brn 0804024

Structural Information

Molecular Formula
C16H13FN2O
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C16H13FN2O/c1-2-15-18-14-9-8-11(17)10-13(14)16(20)19(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKey
JQJOSPRYVHHFGD-UHFFFAOYSA-N
Compound name
2-ethyl-6-fluoro-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

268.1012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10848 160.2
[M+Na]+ 291.09042 171.4
[M-H]- 267.09392 164.5
[M+NH4]+ 286.13502 175.3
[M+K]+ 307.06436 165.2
[M+H-H2O]+ 251.09846 149.9
[M+HCOO]- 313.09940 180.2
[M+CH3COO]- 327.11505 172.3
[M+Na-2H]- 289.07587 166.7
[M]+ 268.10065 160.8
[M]- 268.10175 160.8
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