CID 3079952

Octahydro-3-phenyl-3-propoxypyrido(2,1-c)(1,4)oxazine hydrobromide

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCOC1(CN2CCCCC2CO1)C3=CC=CC=C3
InChI
InChI=1S/C17H25NO2/c1-2-12-19-17(15-8-4-3-5-9-15)14-18-11-7-6-10-16(18)13-20-17/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKey
QLSGWCKUVYKCFZ-UHFFFAOYSA-N
Compound name
3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.8
[M+Na]+ 298.17776 170.2
[M-H]- 274.18126 171.6
[M+NH4]+ 293.22236 182.4
[M+K]+ 314.15170 168.1
[M+H-H2O]+ 258.18580 157.5
[M+HCOO]- 320.18674 180.8
[M+CH3COO]- 334.20239 176.3
[M+Na-2H]- 296.16321 172.0
[M]+ 275.18799 162.9
[M]- 275.18909 162.9
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.