CID 3060517

Brn 4450751

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1COCC2=NN=C(N21)C3=CC=CC=C3

InChI

InChI=1S/C11H11N3O/c1-2-4-9(5-3-1)11-13-12-10-8-15-7-6-14(10)11/h1-5H,6-8H2

InChIKey

MIDOTNANWUWDSU-UHFFFAOYSA-N

Compound name

3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.09021 Da
Monoisotopic Mass: 0.5
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]+	202.097486	141.8
[M+Na]+	224.079428	150.1
[M-H]-	200.082934	145.7
[M+NH4]+	219.124033	157.9
[M+K]+	240.053368	147.7
[M+H-H2O]+	184.087470	132.6
[M+HCOO]-	246.088411	160.2
[M+CH3COO]-	260.104061	154.2
[M+Na-2H]-	222.064876	149.3
[M]+	201.08966142	140.4
[M]-	201.09075858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.