CID 888323

3,4,5-triethoxy-n-(1h-1,2,4-triazol-5-yl)benzamide

Structural Information

Molecular Formula
C15H20N4O4
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC=NN2
InChI
InChI=1S/C15H20N4O4/c1-4-21-11-7-10(14(20)18-15-16-9-17-19-15)8-12(22-5-2)13(11)23-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
OQFGCQYOXRUGLU-UHFFFAOYSA-N
Compound name
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

320.14847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15575 173.4
[M+Na]+ 343.13769 180.3
[M-H]- 319.14119 175.2
[M+NH4]+ 338.18229 184.4
[M+K]+ 359.11163 177.3
[M+H-H2O]+ 303.14573 163.6
[M+HCOO]- 365.14667 193.7
[M+CH3COO]- 379.16232 206.7
[M+Na-2H]- 341.12314 175.4
[M]+ 320.14792 177.9
[M]- 320.14902 177.9
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.