CID 202303

10082-88-9

Structural Information

Molecular Formula
C32H37NO4
SMILES
CC1(CC(CC(N1C)(C)C)OC(=O)C(CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C32H37NO4/c1-31(2)21-27(22-32(3,4)33(31)5)37-30(35)28(24-12-8-6-9-13-24)20-23-16-18-26(19-17-23)36-29(34)25-14-10-7-11-15-25/h6-19,27-28H,20-22H2,1-5H3
InChIKey
BFGGQONOFRSVIW-UHFFFAOYSA-N
Compound name
[4-[3-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2-phenylpropyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.27225 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.27953 225.7
[M+Na]+ 522.26147 228.6
[M-H]- 498.26497 235.4
[M+NH4]+ 517.30607 233.6
[M+K]+ 538.23541 224.6
[M+H-H2O]+ 482.26951 213.1
[M+HCOO]- 544.27045 238.6
[M+CH3COO]- 558.28610 242.4
[M+Na-2H]- 520.24692 222.2
[M]+ 499.27170 225.9
[M]- 499.27280 225.9
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.