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
2
Annotation Hits

26
References

3112
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

literature stripe

Patent stripe

patents stripe