CID 3053037

As-triazine, 5-(3,4-dimethoxyphenyl)-3-methoxy-

Structural Information

Molecular Formula
C12H13N3O3
SMILES
COC1=C(C=C(C=C1)C2=CN=NC(=N2)OC)OC
InChI
InChI=1S/C12H13N3O3/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3
InChIKey
WBFFJDMOZXSWFZ-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.09569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 154.4
[M+Na]+ 270.084908 164.4
[M-H]- 246.088414 157.7
[M+NH4]+ 265.129513 167.8
[M+K]+ 286.058848 161.9
[M+H-H2O]+ 230.092950 144.6
[M+HCOO]- 292.093891 175.9
[M+CH3COO]- 306.109541 193.8
[M+Na-2H]- 268.070356 161.4
[M]+ 247.09514142 159.6
[M]- 247.09623858 159.6
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

patents stripe