CID 13212029

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

Structural Information

Molecular Formula
C20H18N2O
SMILES
C1C(OC2=C(N1CC3=CC=CC=C3)N=CC=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H18N2O/c1-3-8-16(9-4-1)14-22-15-19(17-10-5-2-6-11-17)23-18-12-7-13-21-20(18)22/h1-13,19H,14-15H2
InChIKey
OZYFPZQPMSQBNC-UHFFFAOYSA-N
Compound name
4-benzyl-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1419 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 172.2
[M+Na]+ 325.13112 178.7
[M-H]- 301.13462 179.6
[M+NH4]+ 320.17572 183.0
[M+K]+ 341.10506 173.4
[M+H-H2O]+ 285.13916 160.5
[M+HCOO]- 347.14010 189.0
[M+CH3COO]- 361.15575 182.1
[M+Na-2H]- 323.11657 179.3
[M]+ 302.14135 169.8
[M]- 302.14245 169.8
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.