CID 216114

39123-15-4

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

C1COCCN1CCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO3/c24-21(26-16-13-23-11-14-25-15-12-23)20-17-22(20,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20H,11-17H2

InChIKey

OOZJVBCYUYRJTH-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2,2-diphenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 351.18344 Da
Monoisotopic Mass: 3.3
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]+	352.190716	185.0
[M+Na]+	374.172658	190.0
[M-H]-	350.176164	195.8
[M+NH4]+	369.217263	191.4
[M+K]+	390.146598	188.0
[M+H-H2O]+	334.180700	174.7
[M+HCOO]-	396.181641	201.7
[M+CH3COO]-	410.197291	193.8
[M+Na-2H]-	372.158106	188.2
[M]+	351.18289142	185.5
[M]-	351.18398858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe