CID 3086794

Brn 5604780

Structural Information

Molecular Formula
C14H14F2N2O3
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(F)F)C(=O)C
InChI
InChI=1S/C14H14F2N2O3/c1-7-11(8(2)19)12(18-14(20)17-7)9-5-3-4-6-10(9)21-13(15)16/h3-6,12-13H,1-2H3,(H2,17,18,20)
InChIKey
FLTXNIAZSNYYIK-UHFFFAOYSA-N
Compound name
5-acetyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09726 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10454 165.2
[M+Na]+ 319.08648 172.5
[M-H]- 295.08998 163.9
[M+NH4]+ 314.13108 176.2
[M+K]+ 335.06042 167.5
[M+H-H2O]+ 279.09452 155.2
[M+HCOO]- 341.09546 177.8
[M+CH3COO]- 355.11111 199.7
[M+Na-2H]- 317.07193 164.0
[M]+ 296.09671 159.8
[M]- 296.09781 159.8
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.