CID 13212027

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

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCCC1CN(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-2-7-16-14-20(13-11-15-8-4-3-5-9-15)18-17(21-16)10-6-12-19-18/h3-6,8-10,12,16H,2,7,11,13-14H2,1H3
InChIKey
GYJKQNVCHRWNPM-UHFFFAOYSA-N
Compound name
4-(2-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]+ 283.18050 169.1
[M+Na]+ 305.16244 175.2
[M-H]- 281.16594 173.4
[M+NH4]+ 300.20704 181.6
[M+K]+ 321.13638 171.1
[M+H-H2O]+ 265.17048 158.7
[M+HCOO]- 327.17142 185.5
[M+CH3COO]- 341.18707 179.1
[M+Na-2H]- 303.14789 175.0
[M]+ 282.17267 168.9
[M]- 282.17377 168.9
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.