CID 135413553

Etifoxine

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
InChI
InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
InChIKey
IBYCYJFUEJQSMK-UHFFFAOYSA-N
Compound name
6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

94
References

826
Patents

300.10294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11022 169.1
[M+Na]+ 323.09216 185.3
[M+NH4]+ 318.13676 180.0
[M+K]+ 339.06610 173.9
[M-H]- 299.09566 176.1
[M+Na-2H]- 321.07761 178.8
[M]+ 300.10239 174.1
[M]- 300.10349 174.1
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