CID 3009607

4-piperidinone, 1-[2-(2-benzoxazolyl)ethoxy]-3,5-dimethyl-2,6-diphenyl-

Structural Information

Molecular Formula
C28H28N2O3
SMILES
CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)OCCC3=NC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2O3/c1-19-26(21-11-5-3-6-12-21)30(27(20(2)28(19)31)22-13-7-4-8-14-22)32-18-17-25-29-23-15-9-10-16-24(23)33-25/h3-16,19-20,26-27H,17-18H2,1-2H3
InChIKey
KMTCMGBSSMPATF-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-3,5-dimethyl-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.21 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.21728 211.3
[M+Na]+ 463.19922 218.7
[M-H]- 439.20272 222.7
[M+NH4]+ 458.24382 218.6
[M+K]+ 479.17316 212.5
[M+H-H2O]+ 423.20726 198.8
[M+HCOO]- 485.20820 227.6
[M+CH3COO]- 499.22385 219.8
[M+Na-2H]- 461.18467 210.0
[M]+ 440.20945 213.3
[M]- 440.21055 213.3
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.