CID 24844891

88810-19-9

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCC1CN(C2=C(O1)C=CC=N2)C(CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H27N3O2/c1-2-18-15-24(21-20(26-18)9-6-10-22-21)19(17-7-4-3-5-8-17)16-23-11-13-25-14-12-23/h3-10,18-19H,2,11-16H2,1H3
InChIKey
BJKGLLHDPRBWIX-UHFFFAOYSA-N
Compound name
2-ethyl-4-(2-morpholin-4-yl-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

353.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 188.6
[M+Na]+ 376.19955 191.3
[M-H]- 352.20305 193.9
[M+NH4]+ 371.24415 194.2
[M+K]+ 392.17349 188.1
[M+H-H2O]+ 336.20759 175.6
[M+HCOO]- 398.20853 197.5
[M+CH3COO]- 412.22418 195.4
[M+Na-2H]- 374.18500 191.1
[M]+ 353.20978 184.1
[M]- 353.21088 184.1
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.