CID 3009613

1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-3,5-dimethyl-piperidin-4-one

Structural Information

Molecular Formula
C30H32N2O5
SMILES
CC1C(N(C(C(C1=O)C)C2=CC=C(C=C2)OC)OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)OC
InChI
InChI=1S/C30H32N2O5/c1-19-28(21-9-13-23(34-3)14-10-21)32(36-18-17-27-31-25-7-5-6-8-26(25)37-27)29(20(2)30(19)33)22-11-15-24(35-4)16-12-22/h5-16,19-20,28-29H,17-18H2,1-4H3
InChIKey
NXNHTXSGUXDWTQ-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.2311 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.23838 226.8
[M+Na]+ 523.22032 234.2
[M-H]- 499.22382 238.6
[M+NH4]+ 518.26492 231.8
[M+K]+ 539.19426 229.6
[M+H-H2O]+ 483.22836 213.8
[M+HCOO]- 545.22930 242.4
[M+CH3COO]- 559.24495 234.5
[M+Na-2H]- 521.20577 223.3
[M]+ 500.23055 232.9
[M]- 500.23165 232.9
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.