CID 3050313

Octahydro-3-(4-(trifluoromethyl)phenyl)pyrido(2,1-c)(1,4)oxazin-3-ol hydrochloride

Structural Information

Molecular Formula
C15H18F3NO2
SMILES
C1CCN2CC(OCC2C1)(C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C15H18F3NO2/c16-15(17,18)12-6-4-11(5-7-12)14(20)10-19-8-2-1-3-13(19)9-21-14/h4-7,13,20H,1-3,8-10H2
InChIKey
ZERAHVZJGXHJPA-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13625 168.8
[M+Na]+ 324.11819 174.5
[M-H]- 300.12169 169.2
[M+NH4]+ 319.16279 183.1
[M+K]+ 340.09213 171.1
[M+H-H2O]+ 284.12623 158.4
[M+HCOO]- 346.12717 177.2
[M+CH3COO]- 360.14282 198.5
[M+Na-2H]- 322.10364 173.1
[M]+ 301.12842 159.1
[M]- 301.12952 159.1
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.