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]+ 277.12953 162.4
[M+Na]+ 299.11147 173.1
[M-H]- 275.11497 166.7
[M+NH4]+ 294.15607 176.9
[M+K]+ 315.08541 170.1
[M+H-H2O]+ 259.11951 153.4
[M+HCOO]- 321.12045 185.7
[M+CH3COO]- 335.13610 202.7
[M+Na-2H]- 297.09692 165.3
[M]+ 276.12170 168.2
[M]- 276.12280 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.