CID 13212028

3,4-dihydro-4-(1-phenylethyl)-2-propyl-2h-pyrido(3,2-b)-1,4-oxazine

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCCC1CN(C2=C(O1)C=CC=N2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-3-8-16-13-20(14(2)15-9-5-4-6-10-15)18-17(21-16)11-7-12-19-18/h4-7,9-12,14,16H,3,8,13H2,1-2H3
InChIKey
QSHOUBWNVTZDJU-UHFFFAOYSA-N
Compound name
4-(1-phenylethyl)-2-propyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 169.3
[M+Na]+ 305.162438 175.1
[M-H]- 281.165944 173.7
[M+NH4]+ 300.207043 181.7
[M+K]+ 321.136378 171.5
[M+H-H2O]+ 265.170480 159.1
[M+HCOO]- 327.171421 184.7
[M+CH3COO]- 341.187071 179.2
[M+Na-2H]- 303.147886 174.1
[M]+ 282.17267142 168.5
[M]- 282.17376858 168.5
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.