CID 5347605

303095-47-8

Structural Information

Molecular Formula
C17H16N4
SMILES
CC1=NN=C(N1/N=C/C2=CC=C(C=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C17H16N4/c1-13-19-20-14(2)21(13)18-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3/b18-12+
InChIKey
ODDZBALTIPAXCP-LDADJPATSA-N
Compound name
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.13748 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.144756 165.2
[M+Na]+ 299.126698 174.5
[M-H]- 275.130204 172.8
[M+NH4]+ 294.171303 179.3
[M+K]+ 315.100638 168.8
[M+H-H2O]+ 259.134740 154.2
[M+HCOO]- 321.135681 189.3
[M+CH3COO]- 335.151331 177.3
[M+Na-2H]- 297.112146 170.0
[M]+ 276.13693142 166.5
[M]- 276.13802858 166.5
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.