CID 3065485

108132-92-9

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CCN1C(=NNC1=O)C2=CC(=C(C(=C2)OC)OCC)OC
InChI
InChI=1S/C14H19N3O4/c1-5-17-13(15-16-14(17)18)9-7-10(19-3)12(21-6-2)11(8-9)20-4/h7-8H,5-6H2,1-4H3,(H,16,18)
InChIKey
PEQKMAZUAWZNLS-UHFFFAOYSA-N
Compound name
3-(4-ethoxy-3,5-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 166.0
[M+Na]+ 316.12676 176.4
[M-H]- 292.13026 168.6
[M+NH4]+ 311.17136 179.2
[M+K]+ 332.10070 173.1
[M+H-H2O]+ 276.13480 157.3
[M+HCOO]- 338.13574 186.6
[M+CH3COO]- 352.15139 201.0
[M+Na-2H]- 314.11221 167.4
[M]+ 293.13699 172.4
[M]- 293.13809 172.4
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.