CID 202200

Imidazole, 4-(2-(2-naphthyloxy)ethyl)-

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCC3=CN=CN3
InChI
InChI=1S/C15H14N2O/c1-2-4-13-9-15(6-5-12(13)3-1)18-8-7-14-10-16-11-17-14/h1-6,9-11H,7-8H2,(H,16,17)
InChIKey
PGMKRSXAILDXTQ-UHFFFAOYSA-N
Compound name
5-(2-naphthalen-2-yloxyethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

238.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.1
[M+Na]+ 261.09983 161.2
[M-H]- 237.10333 156.0
[M+NH4]+ 256.14443 169.0
[M+K]+ 277.07377 155.5
[M+H-H2O]+ 221.10787 143.5
[M+HCOO]- 283.10881 174.3
[M+CH3COO]- 297.12446 164.4
[M+Na-2H]- 259.08528 159.8
[M]+ 238.11006 153.5
[M]- 238.11116 153.5
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