CID 3058044

74417-04-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 154.4
[M+Na]+ 270.08491 164.4
[M-H]- 246.08841 157.7
[M+NH4]+ 265.12951 167.8
[M+K]+ 286.05885 161.9
[M+H-H2O]+ 230.09295 144.6
[M+HCOO]- 292.09389 175.9
[M+CH3COO]- 306.10954 193.8
[M+Na-2H]- 268.07036 161.4
[M]+ 247.09514 159.6
[M]- 247.09624 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

No patent data available for this compound.