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 211.6
[M+Na]+ 454.27166 214.7
[M-H]- 430.27516 221.8
[M+NH4]+ 449.31626 229.8
[M+K]+ 470.24560 209.1
[M+H-H2O]+ 414.27970 203.2
[M+HCOO]- 476.28064 225.6
[M+CH3COO]- 490.29629 219.4
[M+Na-2H]- 452.25711 204.1
[M]+ 431.28189 209.7
[M]- 431.28299 209.7
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.