CID 479120

4-imidazol-1-yl-n-[(4-phenylphenyl)methyl]aniline

Structural Information

Molecular Formula
C22H19N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=CC=C(C=C3)N4C=CN=C4
InChI
InChI=1S/C22H19N3/c1-2-4-19(5-3-1)20-8-6-18(7-9-20)16-24-21-10-12-22(13-11-21)25-15-14-23-17-25/h1-15,17,24H,16H2
InChIKey
LKMRMUUHTUKUTK-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-N-[(4-phenylphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.1579 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16518 176.8
[M+Na]+ 348.14712 183.3
[M-H]- 324.15062 186.6
[M+NH4]+ 343.19172 188.5
[M+K]+ 364.12106 175.8
[M+H-H2O]+ 308.15516 165.1
[M+HCOO]- 370.15610 200.0
[M+CH3COO]- 384.17175 187.2
[M+Na-2H]- 346.13257 181.6
[M]+ 325.15735 175.0
[M]- 325.15845 175.0
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.