CID 30642

21461-65-4

Structural Information

Molecular Formula
C22H27NO2
SMILES
CN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCC3
InChI
InChI=1S/C22H27NO2/c1-23(20-14-8-9-15-20)16-17-25-22(24)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-21H,8-9,14-17H2,1H3
InChIKey
NYGYKFAEMKJDJP-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(methyl)amino]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]+ 338.211476 184.8
[M+Na]+ 360.193418 185.7
[M-H]- 336.196924 194.1
[M+NH4]+ 355.238023 199.0
[M+K]+ 376.167358 182.8
[M+H-H2O]+ 320.201460 175.2
[M+HCOO]- 382.202401 205.8
[M+CH3COO]- 396.218051 214.8
[M+Na-2H]- 358.178866 183.5
[M]+ 337.20365142 183.2
[M]- 337.20474858 183.2
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.