CID 219072

Lr 534

Structural Information

Molecular Formula
C15H19FN2O2
SMILES
CCN(CC)CCC1=C(NC(=O)O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H19FN2O2/c1-3-18(4-2)10-9-13-14(17-15(19)20-13)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKey
RRKXWTIXDRQLHE-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

278.14307 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15035 163.9
[M+Na]+ 301.13229 171.9
[M-H]- 277.13579 169.0
[M+NH4]+ 296.17689 179.1
[M+K]+ 317.10623 169.1
[M+H-H2O]+ 261.14033 155.1
[M+HCOO]- 323.14127 186.0
[M+CH3COO]- 337.15692 202.8
[M+Na-2H]- 299.11774 166.0
[M]+ 278.14252 166.1
[M]- 278.14362 166.1
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

patents stripe