CID 3707514

4-ethyl-3,5-diphenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C16H15N3
SMILES
CCN1C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3/c1-2-19-15(13-9-5-3-6-10-13)17-18-16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
MAGLLXUHNWKKOI-UHFFFAOYSA-N
Compound name
4-ethyl-3,5-diphenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.133876 157.3
[M+Na]+ 272.115818 166.3
[M-H]- 248.119324 163.3
[M+NH4]+ 267.160423 171.9
[M+K]+ 288.089758 160.6
[M+H-H2O]+ 232.123860 146.9
[M+HCOO]- 294.124801 179.1
[M+CH3COO]- 308.140451 169.3
[M+Na-2H]- 270.101266 162.4
[M]+ 249.12605142 157.5
[M]- 249.12714858 157.5
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.