CID 68299673

Alm301

Structural Information

Molecular Formula
C25H25N3O3
SMILES
CCN1C(=O)COC2=C1C=C(C(=N2)C3=CC=C(C=C3)C4(CC(C4)O)N)C5=CC=CC=C5
InChI
InChI=1S/C25H25N3O3/c1-2-28-21-12-20(16-6-4-3-5-7-16)23(27-24(21)31-15-22(28)30)17-8-10-18(11-9-17)25(26)13-19(29)14-25/h3-12,19,29H,2,13-15,26H2,1H3
InChIKey
BPHCAPAOSHZYJY-UHFFFAOYSA-N
Compound name
6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

415.1896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19688 201.9
[M+Na]+ 438.17882 213.0
[M+NH4]+ 433.22342 206.2
[M+K]+ 454.15276 205.0
[M-H]- 414.18232 207.7
[M+Na-2H]- 436.16427 208.3
[M]+ 415.18905 204.2
[M]- 415.19015 204.2
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

patents stripe