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
1
Annotation Hits

2
References

12
Patents

415.1896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.196876 203.7
[M+Na]+ 438.178818 209.5
[M-H]- 414.182324 212.6
[M+NH4]+ 433.223423 205.0
[M+K]+ 454.152758 207.5
[M+H-H2O]+ 398.186860 185.9
[M+HCOO]- 460.187801 216.2
[M+CH3COO]- 474.203451 210.8
[M+Na-2H]- 436.164266 204.8
[M]+ 415.18905142 209.5
[M]- 415.19014858 209.5
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