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]+ 338.21148 184.8
[M+Na]+ 360.19342 185.7
[M-H]- 336.19692 194.1
[M+NH4]+ 355.23802 199.0
[M+K]+ 376.16736 182.8
[M+H-H2O]+ 320.20146 175.2
[M+HCOO]- 382.20240 205.8
[M+CH3COO]- 396.21805 214.8
[M+Na-2H]- 358.17887 183.5
[M]+ 337.20365 183.2
[M]- 337.20475 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.