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]+ 279.14918 165.1
[M+Na]+ 301.13112 170.7
[M-H]- 277.13462 171.4
[M+NH4]+ 296.17572 179.0
[M+K]+ 317.10506 166.0
[M+H-H2O]+ 261.13916 154.6
[M+HCOO]- 323.14010 186.7
[M+CH3COO]- 337.15575 175.9
[M+Na-2H]- 299.11657 169.4
[M]+ 278.14135 165.3
[M]- 278.14245 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.