CID 3009612

Schembl16972937

Structural Information

Molecular Formula
C29H30N2O5
SMILES
CC1C(N(C(CC1=O)C2=CC=C(C=C2)OC)OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)OC
InChI
InChI=1S/C29H30N2O5/c1-19-26(32)18-25(20-8-12-22(33-2)13-9-20)31(29(19)21-10-14-23(34-3)15-11-21)35-17-16-28-30-24-6-4-5-7-27(24)36-28/h4-15,19,25,29H,16-18H2,1-3H3
InChIKey
XPSMXBCMWTXEHS-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

486.21548 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22276 221.5
[M+Na]+ 509.20470 228.6
[M-H]- 485.20820 233.1
[M+NH4]+ 504.24930 226.8
[M+K]+ 525.17864 224.0
[M+H-H2O]+ 469.21274 208.6
[M+HCOO]- 531.21368 237.6
[M+CH3COO]- 545.22933 229.4
[M+Na-2H]- 507.19015 219.3
[M]+ 486.21493 226.9
[M]- 486.21603 226.9
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.