CID 135413636

Metamitron-desamino

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

CC1=NN=C(C(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)

InChIKey

OUSYWCQYMPDAEO-UHFFFAOYSA-N

Compound name

3-methyl-6-phenyl-4H-1,2,4-triazin-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 13
Patents: 187.07455 Da
Monoisotopic Mass: 1.0
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]+	188.08183	139.2
[M+Na]+	210.06377	155.0
[M+NH4]+	205.10837	146.7
[M+K]+	226.03771	148.0
[M-H]-	186.06727	141.7
[M+Na-2H]-	208.04922	148.9
[M]+	187.07400	142.1
[M]-	187.07510	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe