CID 15989

Ksd 2392

Structural Information

Molecular Formula
C25H31NO3
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN3C4CCCC3CCC4)O
InChI
InChI=1S/C25H31NO3/c1-19-13-15-21(16-14-19)25(28,20-7-3-2-4-8-20)24(27)29-18-17-26-22-9-5-10-23(26)12-6-11-22/h2-4,7-8,13-16,22-23,28H,5-6,9-12,17-18H2,1H3
InChIKey
ATONNNVZMKPXCG-UHFFFAOYSA-N
Compound name
2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate
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 197.9
[M+Na]+ 416.21962 209.6
[M+NH4]+ 411.26422 205.4
[M+K]+ 432.19356 201.7
[M-H]- 392.22312 202.0
[M+Na-2H]- 414.20507 203.5
[M]+ 393.22985 200.7
[M]- 393.23095 200.7
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.