CID 11842644

Pyrifluquinazon

Structural Information

Molecular Formula
C19H15F7N4O2
SMILES
CC(=O)N1C2=C(CN(C1=O)NCC3=CN=CC=C3)C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C19H15F7N4O2/c1-11(31)30-15-5-4-14(17(20,18(21,22)23)19(24,25)26)7-13(15)10-29(16(30)32)28-9-12-3-2-6-27-8-12/h2-8,28H,9-10H2,1H3
InChIKey
MIOBBYRMXGNORL-UHFFFAOYSA-N
Compound name
1-acetyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(pyridin-3-ylmethylamino)-4H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

17451
Patents

464.10834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11562 191.0
[M+Na]+ 487.09756 193.8
[M+NH4]+ 482.14216 190.3
[M+K]+ 503.07150 191.5
[M-H]- 463.10106 183.8
[M+Na-2H]- 485.08301 190.6
[M]+ 464.10779 188.8
[M]- 464.10889 188.8
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