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 165.2
[M+Na]+ 299.12670 174.5
[M-H]- 275.13020 172.8
[M+NH4]+ 294.17130 179.3
[M+K]+ 315.10064 168.8
[M+H-H2O]+ 259.13474 154.2
[M+HCOO]- 321.13568 189.3
[M+CH3COO]- 335.15133 177.3
[M+Na-2H]- 297.11215 170.0
[M]+ 276.13693 166.5
[M]- 276.13803 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.