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
6
Annotation Hits

68
References

28186
Patents

202.08546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 143.7
[M+Na]+ 225.07468 154.4
[M-H]- 201.07818 146.9
[M+NH4]+ 220.11928 158.5
[M+K]+ 241.04862 150.1
[M+H-H2O]+ 185.08272 134.6
[M+HCOO]- 247.08366 166.2
[M+CH3COO]- 261.09931 187.2
[M+Na-2H]- 223.06013 151.2
[M]+ 202.08491 143.1
[M]- 202.08601 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.