CID 58544

2-(alpha-naphthyloxy)methylimidazoline hydrochloride

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1CN=C(N1)COC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H14N2O/c1-2-6-12-11(4-1)5-3-7-13(12)17-10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
InChIKey
REQHONMNWKPBNA-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-yloxymethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.8
[M+Na]+ 249.09983 157.2
[M-H]- 225.10333 153.0
[M+NH4]+ 244.14443 166.9
[M+K]+ 265.07377 152.2
[M+H-H2O]+ 209.10787 141.2
[M+HCOO]- 271.10881 169.4
[M+CH3COO]- 285.12446 161.4
[M+Na-2H]- 247.08528 155.9
[M]+ 226.11006 147.9
[M]- 226.11116 147.9
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.