CID 38854

Metamitron

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

CC1=NN=C(C(=O)N1N)C2=CC=CC=C2

InChI

InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3

InChIKey

VHCNQEUWZYOAEV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 68
References: 24637
Patents: 202.08546 Da
Monoisotopic Mass: 0.7
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]+	203.09274	142.6
[M+Na]+	225.07468	157.8
[M+NH4]+	220.11928	149.9
[M+K]+	241.04862	151.4
[M-H]-	201.07818	145.8
[M+Na-2H]-	223.06013	151.9
[M]+	202.08491	145.6
[M]-	202.08601	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe