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 166.1
[M+Na]+ 303.12347 171.0
[M-H]- 279.12697 169.4
[M+NH4]+ 298.16807 179.2
[M+K]+ 319.09741 166.7
[M+H-H2O]+ 263.13151 156.4
[M+HCOO]- 325.13245 174.4
[M+CH3COO]- 339.14810 175.2
[M+Na-2H]- 301.10892 169.9
[M]+ 280.13370 162.6
[M]- 280.13480 162.6
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.