CID 101777

2,4,5-triphenyl-2-imidazoline

Structural Information

Molecular Formula
C21H18N2
SMILES
C1=CC=C(C=C1)C2C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)
InChIKey
UCCFUHZMGXEALP-UHFFFAOYSA-N
Compound name
2,4,5-triphenyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

123
Patents

298.147 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.154276 170.7
[M+Na]+ 321.136218 177.2
[M-H]- 297.139724 179.1
[M+NH4]+ 316.180823 183.1
[M+K]+ 337.110158 169.3
[M+H-H2O]+ 281.144260 159.8
[M+HCOO]- 343.145201 190.3
[M+CH3COO]- 357.160851 180.9
[M+Na-2H]- 319.121666 173.9
[M]+ 298.14645142 166.1
[M]- 298.14754858 166.1
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

patents stripe