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: 9
Patents: 254.10553 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.112806	155.8
[M+Na]+	277.094748	168.5
[M-H]-	253.098254	162.9
[M+NH4]+	272.139353	172.3
[M+K]+	293.068688	164.6
[M+H-H2O]+	237.102790	147.6
[M+HCOO]-	299.103731	178.8
[M+CH3COO]-	313.119381	169.8
[M+Na-2H]-	275.080196	162.1
[M]+	254.10498142	161.5
[M]-	254.10607858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe