CID 476879

1-(2-benzhydryloxyethyl)imidazole

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN3C=CN=C3
InChI
InChI=1S/C18H18N2O/c1-3-7-16(8-4-1)18(17-9-5-2-6-10-17)21-14-13-20-12-11-19-15-20/h1-12,15,18H,13-14H2
InChIKey
YPUMTVCSBKYEIY-UHFFFAOYSA-N
Compound name
1-(2-benzhydryloxyethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.1
[M+Na]+ 301.131118 170.7
[M-H]- 277.134624 171.4
[M+NH4]+ 296.175723 179.0
[M+K]+ 317.105058 166.0
[M+H-H2O]+ 261.139160 154.6
[M+HCOO]- 323.140101 186.7
[M+CH3COO]- 337.155751 175.9
[M+Na-2H]- 299.116566 169.4
[M]+ 278.14135142 165.3
[M]- 278.14244858 165.3
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.