CID 63371

1897-87-6

Structural Information

Molecular Formula
C15H11FN2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F
InChI
InChI=1S/C15H11FN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3
InChIKey
GSTFOVILIDDZER-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.08554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09282 155.5
[M+Na]+ 277.07476 167.2
[M-H]- 253.07826 160.0
[M+NH4]+ 272.11936 171.2
[M+K]+ 293.04870 161.2
[M+H-H2O]+ 237.08280 145.5
[M+HCOO]- 299.08374 175.9
[M+CH3COO]- 313.09939 168.1
[M+Na-2H]- 275.06021 162.6
[M]+ 254.08499 155.8
[M]- 254.08609 155.8
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

patents stripe