CID 204902

Difenilacetato di 3-pirrolidinometil-2-bornanolo [italian]

Structural Information

Molecular Formula
C29H37NO2
SMILES
CC1(C2CCC1(C(C2CN3CCCC3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C
InChI
InChI=1S/C29H37NO2/c1-28(2)24-16-17-29(28,3)26(23(24)20-30-18-10-11-19-30)32-27(31)25(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,23-26H,10-11,16-20H2,1-3H3
InChIKey
SZMUSBMEZPVXNU-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.28244 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.28972 208.4
[M+Na]+ 454.27166 217.6
[M+NH4]+ 449.31626 219.4
[M+K]+ 470.24560 211.4
[M-H]- 430.27516 213.7
[M+Na-2H]- 452.25711 214.9
[M]+ 431.28189 211.4
[M]- 431.28299 211.4
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.