CID 135426053

303092-71-9

Structural Information

Molecular Formula
C13H16N4O3
SMILES
CC1=NN=C(N1/N=C/C2=CC(=C(C(=C2)OC)O)OC)C
InChI
InChI=1S/C13H16N4O3/c1-8-15-16-9(2)17(8)14-7-10-5-11(19-3)13(18)12(6-10)20-4/h5-7,18H,1-4H3/b14-7+
InChIKey
ATABOEDNNNDRQX-VGOFMYFVSA-N
Compound name
4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.12225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.129526 162.4
[M+Na]+ 299.111468 173.1
[M-H]- 275.114974 166.7
[M+NH4]+ 294.156073 176.9
[M+K]+ 315.085408 170.1
[M+H-H2O]+ 259.119510 153.4
[M+HCOO]- 321.120451 185.7
[M+CH3COO]- 335.136101 202.7
[M+Na-2H]- 297.096916 165.3
[M]+ 276.12170142 168.2
[M]- 276.12279858 168.2
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.