CID 3079958

Octahydro-3-phenyl-3-(phenylmethoxy)pyrido(2,1-c)(1,4)oxazine hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCN2CC(OCC2C1)(C3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H25NO2/c1-3-9-18(10-4-1)15-23-21(19-11-5-2-6-12-19)17-22-14-8-7-13-20(22)16-24-21/h1-6,9-12,20H,7-8,13-17H2
InChIKey
NCGDHJQVVBTALF-UHFFFAOYSA-N
Compound name
3-phenyl-3-phenylmethoxy-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

323.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 178.9
[M+Na]+ 346.177758 181.8
[M-H]- 322.181264 186.5
[M+NH4]+ 341.222363 191.7
[M+K]+ 362.151698 178.2
[M+H-H2O]+ 306.185800 167.4
[M+HCOO]- 368.186741 192.7
[M+CH3COO]- 382.202391 187.4
[M+Na-2H]- 344.163206 183.9
[M]+ 323.18799142 173.4
[M]- 323.18908858 173.4
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.