CID 9953769

300816-15-3

Structural Information

Molecular Formula
C25H27N3O3
SMILES
CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C
InChI
InChI=1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)
InChIKey
ODNICNWASXKNNQ-UHFFFAOYSA-N
Compound name
6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

29
Patents

417.20523 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21251 204.2
[M+Na]+ 440.19445 219.2
[M+NH4]+ 435.23905 212.4
[M+K]+ 456.16839 211.2
[M-H]- 416.19795 212.5
[M+Na-2H]- 438.17990 210.8
[M]+ 417.20468 208.9
[M]- 417.20578 208.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe