CID 23080

Ksd 2368

Structural Information

Molecular Formula
C25H31NO3
SMILES
CC(CN1C2CCCC1CCC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H31NO3/c1-19(18-26-22-14-8-15-23(26)17-9-16-22)29-24(27)25(28,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,19,22-23,28H,8-9,14-18H2,1H3
InChIKey
VXJHNWQRVGWJIG-UHFFFAOYSA-N
Compound name
1-(9-azabicyclo[3.3.1]nonan-9-yl)propan-2-yl 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 197.0
[M+Na]+ 416.21962 208.0
[M+NH4]+ 411.26422 204.4
[M+K]+ 432.19356 200.8
[M-H]- 392.22312 200.8
[M+Na-2H]- 414.20507 202.6
[M]+ 393.22985 199.6
[M]- 393.23095 199.6
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.