CID 30883

1h-2,3-benzoxazine, 7-chloro-3,4-dihydro-3-(2-piperidinoethyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
C1CCN(CC1)CCN2CC3=C(CO2)C=C(C=C3)Cl
InChI
InChI=1S/C15H21ClN2O/c16-15-5-4-13-11-18(19-12-14(13)10-15)9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9,11-12H2
InChIKey
FCXYQRIVOMAJQK-UHFFFAOYSA-N
Compound name
7-chloro-3-(2-piperidin-1-ylethyl)-1,4-dihydro-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 165.6
[M+Na]+ 303.12347 179.9
[M+NH4]+ 298.16807 175.1
[M+K]+ 319.09741 171.0
[M-H]- 279.12697 171.2
[M+Na-2H]- 301.10892 171.7
[M]+ 280.13370 169.6
[M]- 280.13480 169.6
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.