CID 206673

Brn 0817640

Structural Information

Molecular Formula
C13H15FN2O3
SMILES
CCC(C1=CC=C(C=C1)F)ON2CCC(=O)NC2=O
InChI
InChI=1S/C13H15FN2O3/c1-2-11(9-3-5-10(14)6-4-9)19-16-8-7-12(17)15-13(16)18/h3-6,11H,2,7-8H2,1H3,(H,15,17,18)
InChIKey
PLNWNOCCURNMTN-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorophenyl)propoxy]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10666 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11394 159.2
[M+Na]+ 289.09588 165.7
[M-H]- 265.09938 160.1
[M+NH4]+ 284.14048 172.0
[M+K]+ 305.06982 161.9
[M+H-H2O]+ 249.10392 149.7
[M+HCOO]- 311.10486 174.3
[M+CH3COO]- 325.12051 194.5
[M+Na-2H]- 287.08133 160.5
[M]+ 266.10611 155.2
[M]- 266.10721 155.2
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.