CID 38503

Fluproquazone

Structural Information

Molecular Formula
C18H17FN2O
SMILES
CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FN2O/c1-11(2)21-16-10-12(3)4-9-15(16)17(20-18(21)22)13-5-7-14(19)8-6-13/h4-11H,1-3H3
InChIKey
ZWOUXWWGKJBAHQ-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

3140
Patents

296.13248 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13976 169.3
[M+Na]+ 319.12170 180.2
[M-H]- 295.12520 173.7
[M+NH4]+ 314.16630 183.4
[M+K]+ 335.09564 174.1
[M+H-H2O]+ 279.12974 158.9
[M+HCOO]- 341.13068 187.5
[M+CH3COO]- 355.14633 180.7
[M+Na-2H]- 317.10715 172.8
[M]+ 296.13193 170.4
[M]- 296.13303 170.4
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.