CID 16160

Ksd 2242

Structural Information

Molecular Formula
C25H31NO3
SMILES
C1CC2CCCC(C1)N2CCCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H31NO3/c27-24(29-19-9-18-26-22-14-7-15-23(26)17-8-16-22)25(28,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,22-23,28H,7-9,14-19H2
InChIKey
UPWZIUPEFMORMU-UHFFFAOYSA-N
Compound name
3-(9-azabicyclo[3.3.1]nonan-9-yl)propyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.2304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.23768 196.8
[M+Na]+ 416.21962 196.7
[M-H]- 392.22312 200.2
[M+NH4]+ 411.26422 205.8
[M+K]+ 432.19356 191.4
[M+H-H2O]+ 376.22766 186.2
[M+HCOO]- 438.22860 206.1
[M+CH3COO]- 452.24425 218.7
[M+Na-2H]- 414.20507 199.2
[M]+ 393.22985 191.6
[M]- 393.23095 191.6
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.