CID 59355

102476-22-2

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN1CCCC1CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-2-23-16-9-14-20(23)15-17-25-22(24)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3
InChIKey
IXKPRDSSKVNTLV-UHFFFAOYSA-N
Compound name
2-(1-ethylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 184.8
[M+Na]+ 360.19342 187.5
[M-H]- 336.19692 191.7
[M+NH4]+ 355.23802 197.7
[M+K]+ 376.16736 183.0
[M+H-H2O]+ 320.20146 174.9
[M+HCOO]- 382.20240 202.9
[M+CH3COO]- 396.21805 210.3
[M+Na-2H]- 358.17887 183.1
[M]+ 337.20365 183.5
[M]- 337.20475 183.5
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.