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]+ 277.14476 165.6
[M+Na]+ 299.12670 181.6
[M+NH4]+ 294.17130 173.7
[M+K]+ 315.10064 174.4
[M-H]- 275.13020 171.6
[M+Na-2H]- 297.11215 176.9
[M]+ 276.13693 169.7
[M]- 276.13803 169.7
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.