CID 3071991

139605-49-5

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1C(=O)NN=C2N1C3=CC=CC=C3OC2

InChI

InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)

InChIKey

PNPBXXNNLJGHBP-UHFFFAOYSA-N

Compound name

3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 203.06947 Da
Monoisotopic Mass: 0.4
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]+	204.07675	143.5
[M+Na]+	226.05869	157.5
[M+NH4]+	221.10329	151.6
[M+K]+	242.03263	151.3
[M-H]-	202.06219	145.8
[M+Na-2H]-	224.04414	148.1
[M]+	203.06892	146.0
[M]-	203.07002	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe