CID 13203541

88809-76-1

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CCCC1C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N3O3/c1-2-7-20-22(26)25(21-19(28-20)10-6-11-23-21)18(17-8-4-3-5-9-17)16-24-12-14-27-15-13-24/h3-6,8-11,18,20H,2,7,12-16H2,1H3
InChIKey
LXHGHXRVFXQZIP-UHFFFAOYSA-N
Compound name
4-(2-morpholin-4-yl-1-phenylethyl)-2-propylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20523 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 196.0
[M+Na]+ 404.19445 199.2
[M-H]- 380.19795 201.5
[M+NH4]+ 399.23905 200.5
[M+K]+ 420.16839 196.0
[M+H-H2O]+ 364.20249 182.8
[M+HCOO]- 426.20343 204.9
[M+CH3COO]- 440.21908 202.5
[M+Na-2H]- 402.17990 197.3
[M]+ 381.20468 193.0
[M]- 381.20578 193.0
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.