CID 9575343

[1-aza-2-(4-phenylphenyl)vinyl]imidazole

Structural Information

Molecular Formula
C16H13N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C=CN=C3
InChI
InChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-19-11-10-17-13-19/h1-13H/b18-12+
InChIKey
KGZVZHIHQVCPLW-LDADJPATSA-N
Compound name
(E)-N-imidazol-1-yl-1-(4-phenylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.11095 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 155.1
[M+Na]+ 270.10017 163.1
[M-H]- 246.10367 163.6
[M+NH4]+ 265.14477 171.2
[M+K]+ 286.07411 157.9
[M+H-H2O]+ 230.10821 144.8
[M+HCOO]- 292.10915 181.1
[M+CH3COO]- 306.12480 167.8
[M+Na-2H]- 268.08562 162.1
[M]+ 247.11040 154.8
[M]- 247.11150 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.