CID 216112

39123-13-2

Structural Information

Molecular Formula

C₂₄H₂₉NO₃

SMILES

C1CCN(C1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29NO3/c26-23(28-18-17-27-16-15-25-13-7-8-14-25)22-19-24(22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2

InChIKey

HCJPIMHTHBBDIX-UHFFFAOYSA-N

Compound name

2-(2-pyrrolidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 379.21475 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.222026	191.4
[M+Na]+	402.203968	196.1
[M-H]-	378.207474	201.6
[M+NH4]+	397.248573	199.8
[M+K]+	418.177908	192.0
[M+H-H2O]+	362.212010	182.0
[M+HCOO]-	424.212951	210.5
[M+CH3COO]-	438.228601	217.2
[M+Na-2H]-	400.189416	191.4
[M]+	379.21420142	194.1
[M]-	379.21529858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe