CID 215383

35629-60-8

Structural Information

Molecular Formula

C₁₁H₇N₃O₃

SMILES

C1=CC=C(C=C1)N2C(=O)N=C3N(C2=O)C=CO3

InChI

InChI=1S/C11H7N3O3/c15-9-12-10-13(6-7-17-10)11(16)14(9)8-4-2-1-3-5-8/h1-7H

InChIKey

ZTPYWDWVXAPMIP-UHFFFAOYSA-N

Compound name

3-phenyl-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.04874 Da
Monoisotopic Mass: 1.2
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]+	230.05602	144.2
[M+Na]+	252.03796	157.8
[M-H]-	228.04146	150.2
[M+NH4]+	247.08256	159.9
[M+K]+	268.01190	154.6
[M+H-H2O]+	212.04600	135.6
[M+HCOO]-	274.04694	167.5
[M+CH3COO]-	288.06259	158.7
[M+Na-2H]-	250.02341	153.2
[M]+	229.04819	149.3
[M]-	229.04929	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe