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]+ 324.20705 180.3
[M+Na]+ 346.18899 183.6
[M-H]- 322.19249 184.9
[M+NH4]+ 341.23359 188.5
[M+K]+ 362.16293 178.5
[M+H-H2O]+ 306.19703 167.3
[M+HCOO]- 368.19797 191.3
[M+CH3COO]- 382.21362 187.6
[M+Na-2H]- 344.17444 184.0
[M]+ 323.19922 174.0
[M]- 323.20032 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.