CID 18240

3043-04-7

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C22H27NO3/c1-3-23-16-15-20(17-23)26-21(24)22(25-4-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKey
KQWLKNQCUOBOFE-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 187.4
[M+Na]+ 376.188318 190.6
[M-H]- 352.191824 194.6
[M+NH4]+ 371.232923 199.8
[M+K]+ 392.162258 186.9
[M+H-H2O]+ 336.196360 177.9
[M+HCOO]- 398.197301 205.2
[M+CH3COO]- 412.212951 211.9
[M+Na-2H]- 374.173766 188.0
[M]+ 353.19855142 187.7
[M]- 353.19964858 187.7
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.