CID 63788

4(3h)-quinazolinone, 7-fluoro-2-methyl-3-(4-methylphenyl)-

Structural Information

Molecular Formula
C16H13FN2O
SMILES
CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)F)C
InChI
InChI=1S/C16H13FN2O/c1-10-3-6-13(7-4-10)19-11(2)18-15-9-12(17)5-8-14(15)16(19)20/h3-9H,1-2H3
InChIKey
GCJMEJWIWJHHGX-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10848 160.4
[M+Na]+ 291.09042 172.5
[M-H]- 267.09392 165.1
[M+NH4]+ 286.13502 175.8
[M+K]+ 307.06436 166.4
[M+H-H2O]+ 251.09846 150.3
[M+HCOO]- 313.09940 180.3
[M+CH3COO]- 327.11505 172.9
[M+Na-2H]- 289.07587 166.1
[M]+ 268.10065 161.4
[M]- 268.10175 161.4
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.