CID 15956527

4-piperidinone, 1-[2-(2-benzoxazolyl)ethoxy]-2,6-diphenyl-, oxime

Structural Information

Molecular Formula
C26H25N3O3
SMILES
C1C(N(C(CC1=NO)C2=CC=CC=C2)OCCC3=NC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C26H25N3O3/c30-28-21-17-23(19-9-3-1-4-10-19)29(24(18-21)20-11-5-2-6-12-20)31-16-15-26-27-22-13-7-8-14-25(22)32-26/h1-14,23-24,30H,15-18H2
InChIKey
GLEFMBGEZWWYPM-UHFFFAOYSA-N
Compound name
N-[1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.1896 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 202.5
[M+Na]+ 450.17882 208.2
[M-H]- 426.18232 213.5
[M+NH4]+ 445.22342 209.5
[M+K]+ 466.15276 202.4
[M+H-H2O]+ 410.18686 189.9
[M+HCOO]- 472.18780 220.7
[M+CH3COO]- 486.20345 210.8
[M+Na-2H]- 448.16427 204.8
[M]+ 427.18905 202.5
[M]- 427.19015 202.5
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

No patent data available for this compound.