CID 456994

1-[2-naphthyl(p-tolyl)methyl]imidazole

Structural Information

Molecular Formula
C21H18N2
SMILES
CC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4C=CN=C4
InChI
InChI=1S/C21H18N2/c1-16-6-8-18(9-7-16)21(23-13-12-22-15-23)20-11-10-17-4-2-3-5-19(17)14-20/h2-15,21H,1H3
InChIKey
FHMZXVCGEKWZQI-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)-naphthalen-2-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.147 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15428 171.4
[M+Na]+ 321.13622 180.1
[M-H]- 297.13972 179.6
[M+NH4]+ 316.18082 186.0
[M+K]+ 337.11016 173.0
[M+H-H2O]+ 281.14426 161.0
[M+HCOO]- 343.14520 192.8
[M+CH3COO]- 357.16085 182.8
[M+Na-2H]- 319.12167 176.3
[M]+ 298.14645 172.1
[M]- 298.14755 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.