CID 205361

2-(cyclopentylmethylamino)ethyl benzilate

Structural Information

Molecular Formula
C22H27NO3
SMILES
CN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3CCCC3
InChI
InChI=1S/C22H27NO3/c1-23(20-14-8-9-15-20)16-17-26-21(24)22(25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,25H,8-9,14-17H2,1H3
InChIKey
NYJXQBWDAHRYQB-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.3
[M+Na]+ 376.18832 196.9
[M+NH4]+ 371.23292 194.4
[M+K]+ 392.16226 192.4
[M-H]- 352.19182 192.1
[M+Na-2H]- 374.17377 195.0
[M]+ 353.19855 189.9
[M]- 353.19965 189.9
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.