CID 332790

Mls003170801

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCC1=NOC2=C1C(=O)N(C(=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C15H14N2O2/c1-3-11-14-13(19-16-11)9-12(17(2)15(14)18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey
ZALDBSAAEHULBX-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 155.4
[M+Na]+ 277.09475 172.6
[M+NH4]+ 272.13935 163.7
[M+K]+ 293.06869 166.7
[M-H]- 253.09825 160.6
[M+Na-2H]- 275.08020 163.8
[M]+ 254.10498 159.5
[M]- 254.10608 159.5
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