CID 3071143

Brn 5621755

Structural Information

Molecular Formula
C25H31NO2
SMILES
CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCC4CC[C@H]3N4C
InChI
InChI=1S/C25H31NO2/c1-3-18-25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24(27)28-23-17-15-21-14-16-22(23)26(21)2/h4-13,21-23H,3,14-18H2,1-2H3/t21?,22-,23?/m1/s1
InChIKey
UDETVFPQVHXGDX-OOMBGRCJSA-N
Compound name
[(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2,2-diphenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23547 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 196.2
[M+Na]+ 400.22469 198.7
[M-H]- 376.22819 202.2
[M+NH4]+ 395.26929 209.2
[M+K]+ 416.19863 193.3
[M+H-H2O]+ 360.23273 186.8
[M+HCOO]- 422.23367 209.2
[M+CH3COO]- 436.24932 219.4
[M+Na-2H]- 398.21014 196.1
[M]+ 377.23492 194.2
[M]- 377.23602 194.2
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.