CID 3071148

87395-59-3

Structural Information

Molecular Formula
C25H31NO3
SMILES
CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCC4CC[C@H]3N4C
InChI
InChI=1S/C25H31NO3/c1-3-18-28-25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24(27)29-23-17-15-21-14-16-22(23)26(21)2/h4-13,21-23H,3,14-18H2,1-2H3/t21?,22-,23?/m1/s1
InChIKey
HKGIWDBWRYKYTC-OOMBGRCJSA-N
Compound name
[(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2,2-diphenyl-2-propoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.2304 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.23768 199.1
[M+Na]+ 416.21962 201.3
[M-H]- 392.22312 205.0
[M+NH4]+ 411.26422 211.3
[M+K]+ 432.19356 196.7
[M+H-H2O]+ 376.22766 189.5
[M+HCOO]- 438.22860 212.2
[M+CH3COO]- 452.24425 221.5
[M+Na-2H]- 414.20507 199.2
[M]+ 393.22985 198.4
[M]- 393.23095 198.4
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.