CID 9575345

1-[1-aza-2-(4-phenylphenyl)vinyl]-1,2,4-triazole

Structural Information

Molecular Formula
C15H12N4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C=NC=N3
InChI
InChI=1S/C15H12N4/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-17-19-12-16-11-18-19/h1-12H/b17-10+
InChIKey
PONHANXUYKXOMC-LICLKQGHSA-N
Compound name
(E)-1-(4-phenylphenyl)-N-(1,2,4-triazol-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.1062 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11348 154.9
[M+Na]+ 271.09542 163.3
[M-H]- 247.09892 162.1
[M+NH4]+ 266.14002 169.6
[M+K]+ 287.06936 158.1
[M+H-H2O]+ 231.10346 143.8
[M+HCOO]- 293.10440 179.8
[M+CH3COO]- 307.12005 167.2
[M+Na-2H]- 269.08087 162.4
[M]+ 248.10565 154.8
[M]- 248.10675 154.8
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.