CID 58160

101030-76-6

Structural Information

Molecular Formula
C27H35NO3
SMILES
CCC1C(C(C1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C)C)N4CCCCC4
InChI
InChI=1S/C27H35NO3/c1-4-22-23(28-18-12-7-13-19-28)26(2,3)24(22)31-25(29)27(30,20-14-8-5-9-15-20)21-16-10-6-11-17-21/h5-6,8-11,14-17,22-24,30H,4,7,12-13,18-19H2,1-3H3
InChIKey
ORGGZMATFTXBQJ-UHFFFAOYSA-N
Compound name
(4-ethyl-2,2-dimethyl-3-piperidin-1-ylcyclobutyl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2617 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.26898 205.6
[M+Na]+ 444.25092 206.4
[M-H]- 420.25442 213.2
[M+NH4]+ 439.29552 208.3
[M+K]+ 460.22486 205.0
[M+H-H2O]+ 404.25896 189.9
[M+HCOO]- 466.25990 216.0
[M+CH3COO]- 480.27555 227.2
[M+Na-2H]- 442.23637 204.0
[M]+ 421.26115 210.1
[M]- 421.26225 210.1
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.