CID 63173

Brn 5574957

Structural Information

Molecular Formula
C17H15FN2O
SMILES
CC(C)N1C2=CC=CC=C2C(=O)N=C1C3=CC=CC=C3F
InChI
InChI=1S/C17H15FN2O/c1-11(2)20-15-10-6-4-8-13(15)17(21)19-16(20)12-7-3-5-9-14(12)18/h3-11H,1-2H3
InChIKey
JPPPDJPABDUPOV-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-1-propan-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.11685 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12413 165.3
[M+Na]+ 305.10607 181.8
[M+NH4]+ 300.15067 173.3
[M+K]+ 321.08001 173.3
[M-H]- 281.10957 168.5
[M+Na-2H]- 303.09152 174.0
[M]+ 282.11630 168.7
[M]- 282.11740 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.