CID 121407

2-diethylamino-5-phenyl-2-oxazolin-4-one

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCN(CC)C1=NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-3-15(4-2)13-14-12(16)11(17-13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey
NLLUMJUXYNCDIS-UHFFFAOYSA-N
Compound name
2-(diethylamino)-5-phenyl-1,3-oxazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

232.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.5
[M+Na]+ 255.110408 160.0
[M-H]- 231.113914 160.1
[M+NH4]+ 250.155013 170.0
[M+K]+ 271.084348 159.3
[M+H-H2O]+ 215.118450 144.7
[M+HCOO]- 277.119391 176.6
[M+CH3COO]- 291.135041 195.0
[M+Na-2H]- 253.095856 156.6
[M]+ 232.12064142 155.1
[M]- 232.12173858 155.1
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