CID 33583

1h-2,3-benzoxazine, 3,4-dihydro-6-chloro-3-(2-(4-pyridyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
C1C2=C(CON1CCC3=CC=NC=C3)C=CC(=C2)Cl
InChI
InChI=1S/C15H15ClN2O/c16-15-2-1-13-11-19-18(10-14(13)9-15)8-5-12-3-6-17-7-4-12/h1-4,6-7,9H,5,8,10-11H2
InChIKey
RCEWJQOSELKLQP-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-pyridin-4-ylethyl)-1,4-dihydro-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08728 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 161.7
[M+Na]+ 297.07650 178.7
[M+NH4]+ 292.12110 171.3
[M+K]+ 313.05044 169.2
[M-H]- 273.08000 167.8
[M+Na-2H]- 295.06195 170.4
[M]+ 274.08673 166.4
[M]- 274.08783 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.