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]+ 250.13388 157.3
[M+Na]+ 272.11582 166.3
[M-H]- 248.11932 163.3
[M+NH4]+ 267.16042 171.9
[M+K]+ 288.08976 160.6
[M+H-H2O]+ 232.12386 146.9
[M+HCOO]- 294.12480 179.1
[M+CH3COO]- 308.14045 169.3
[M+Na-2H]- 270.10127 162.4
[M]+ 249.12605 157.5
[M]- 249.12715 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.