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]+ 324.19582 178.9
[M+Na]+ 346.17776 181.8
[M-H]- 322.18126 186.5
[M+NH4]+ 341.22236 191.7
[M+K]+ 362.15170 178.2
[M+H-H2O]+ 306.18580 167.4
[M+HCOO]- 368.18674 192.7
[M+CH3COO]- 382.20239 187.4
[M+Na-2H]- 344.16321 183.9
[M]+ 323.18799 173.4
[M]- 323.18909 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.