CID 207572

Brn 0820819

Structural Information

Molecular Formula
C14H17FN2O3
SMILES
CCC(C1=CC=C(C=C1)F)ON2CC(C(=O)NC2=O)C
InChI
InChI=1S/C14H17FN2O3/c1-3-12(10-4-6-11(15)7-5-10)20-17-8-9(2)13(18)16-14(17)19/h4-7,9,12H,3,8H2,1-2H3,(H,16,18,19)
InChIKey
NCYMXUGYTURSTQ-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorophenyl)propoxy]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1223 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12958 163.7
[M+Na]+ 303.11152 170.6
[M-H]- 279.11502 164.7
[M+NH4]+ 298.15612 176.2
[M+K]+ 319.08546 166.6
[M+H-H2O]+ 263.11956 154.3
[M+HCOO]- 325.12050 178.4
[M+CH3COO]- 339.13615 198.8
[M+Na-2H]- 301.09697 163.7
[M]+ 280.12175 160.4
[M]- 280.12285 160.4
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.