CID 13212031

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

Structural Information

Molecular Formula
C21H20N2O
SMILES
CC(C1=CC=CC=C1)N2CC(OC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O/c1-16(17-9-4-2-5-10-17)23-15-20(18-11-6-3-7-12-18)24-19-13-8-14-22-21(19)23/h2-14,16,20H,15H2,1H3
InChIKey
BFDPLTZSSGDBKH-UHFFFAOYSA-N
Compound name
2-phenyl-4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15756 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16484 176.8
[M+Na]+ 339.14678 182.5
[M-H]- 315.15028 184.1
[M+NH4]+ 334.19138 186.9
[M+K]+ 355.12072 177.5
[M+H-H2O]+ 299.15482 165.0
[M+HCOO]- 361.15576 192.2
[M+CH3COO]- 375.17141 186.1
[M+Na-2H]- 337.13223 182.2
[M]+ 316.15701 174.1
[M]- 316.15811 174.1
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.