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 155.8
[M+Na]+ 277.09475 168.5
[M-H]- 253.09825 162.9
[M+NH4]+ 272.13935 172.3
[M+K]+ 293.06869 164.6
[M+H-H2O]+ 237.10279 147.6
[M+HCOO]- 299.10373 178.8
[M+CH3COO]- 313.11938 169.8
[M+Na-2H]- 275.08020 162.1
[M]+ 254.10498 161.5
[M]- 254.10608 161.5
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