CID 14406025

93299-79-7

Structural Information

Molecular Formula

C₁₀H₈N₄O₂

SMILES

C1C2=NN=C(N2C3=CC=CC=C3O1)C(=O)N

InChI

InChI=1S/C10H8N4O2/c11-9(15)10-13-12-8-5-16-7-4-2-1-3-6(7)14(8)10/h1-4H,5H2,(H2,11,15)

InChIKey

ZKXLEOCHYVQMEJ-UHFFFAOYSA-N

Compound name

4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.06473 Da
Monoisotopic Mass: -0.1
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]+	217.072006	143.9
[M+Na]+	239.053948	153.7
[M-H]-	215.057454	146.0
[M+NH4]+	234.098553	160.4
[M+K]+	255.027888	151.3
[M+H-H2O]+	199.061990	135.7
[M+HCOO]-	261.062931	162.3
[M+CH3COO]-	275.078581	156.3
[M+Na-2H]-	237.039396	151.5
[M]+	216.06418142	144.0
[M]-	216.06527858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe