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

28371
Patents

202.08546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.092736 143.7
[M+Na]+ 225.074678 154.4
[M-H]- 201.078184 146.9
[M+NH4]+ 220.119283 158.5
[M+K]+ 241.048618 150.1
[M+H-H2O]+ 185.082720 134.6
[M+HCOO]- 247.083661 166.2
[M+CH3COO]- 261.099311 187.2
[M+Na-2H]- 223.060126 151.2
[M]+ 202.08491142 143.1
[M]- 202.08600858 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

literature stripe

Patent stripe

patents stripe