CID 71899

Fenoxazoline

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(C)C1=CC=CC=C1OCC2=NCCN2
InChI
InChI=1S/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKey
GFYSWQDCHLWRMQ-UHFFFAOYSA-N
Compound name
2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1024
Patents

218.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.1
[M+Na]+ 241.13112 157.2
[M-H]- 217.13462 153.4
[M+NH4]+ 236.17572 167.7
[M+K]+ 257.10506 153.8
[M+H-H2O]+ 201.13916 142.8
[M+HCOO]- 263.14010 170.2
[M+CH3COO]- 277.15575 186.0
[M+Na-2H]- 239.11657 153.7
[M]+ 218.14135 149.5
[M]- 218.14245 149.5
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