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 164.6
[M+Na]+ 305.10607 175.0
[M-H]- 281.10957 168.8
[M+NH4]+ 300.15067 179.0
[M+K]+ 321.08001 169.1
[M+H-H2O]+ 265.11411 154.2
[M+HCOO]- 327.11505 183.2
[M+CH3COO]- 341.13070 176.1
[M+Na-2H]- 303.09152 169.4
[M]+ 282.11630 164.9
[M]- 282.11740 164.9
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.