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]+ 294.144816 166.0
[M+Na]+ 316.126758 176.4
[M-H]- 292.130264 168.6
[M+NH4]+ 311.171363 179.2
[M+K]+ 332.100698 173.1
[M+H-H2O]+ 276.134800 157.3
[M+HCOO]- 338.135741 186.6
[M+CH3COO]- 352.151391 201.0
[M+Na-2H]- 314.112206 167.4
[M]+ 293.13699142 172.4
[M]- 293.13808858 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.