CID 3070884

2h-pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-phenyl-4-(2-piperidinoethyl)-, trihydrochloride

Structural Information

Molecular Formula
C20H25N3O
SMILES
C1CCN(CC1)CCN2CC(OC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H25N3O/c1-3-8-17(9-4-1)19-16-23(15-14-22-12-5-2-6-13-22)20-18(24-19)10-7-11-21-20/h1,3-4,7-11,19H,2,5-6,12-16H2
InChIKey
HZAHAJFXJPAABF-UHFFFAOYSA-N
Compound name
2-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 180.3
[M+Na]+ 346.188988 183.6
[M-H]- 322.192494 184.9
[M+NH4]+ 341.233593 188.5
[M+K]+ 362.162928 178.5
[M+H-H2O]+ 306.197030 167.3
[M+HCOO]- 368.197971 191.3
[M+CH3COO]- 382.213621 187.6
[M+Na-2H]- 344.174436 184.0
[M]+ 323.19922142 174.0
[M]- 323.20031858 174.0
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.