CID 139595978

Pymetrozine tp3

Structural Information

Molecular Formula
C10H11N5O3
SMILES
CC1=NNC(=O)N(C1O)/N=C\C2=CNC(=O)C=C2
InChI
InChI=1S/C10H11N5O3/c1-6-9(17)15(10(18)14-13-6)12-5-7-2-3-8(16)11-4-7/h2-5,9,17H,1H3,(H,11,16)(H,14,18)/b12-5-
InChIKey
LUCROQXUUQXLTD-XGICHPGQSA-N
Compound name
5-hydroxy-6-methyl-4-[(Z)-(6-oxo-1H-pyridin-3-yl)methylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

249.08618 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 155.5
[M+Na]+ 272.07540 167.1
[M+NH4]+ 267.12000 159.4
[M+K]+ 288.04934 163.0
[M-H]- 248.07890 155.0
[M+Na-2H]- 270.06085 160.2
[M]+ 249.08563 156.4
[M]- 249.08673 156.4
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

No patent data available for this compound.