CID 2031

Adiphenine

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3

InChIKey

JGOAIQNSOGZNBX-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 145
References: 9027
Patents: 311.18854 Da
Monoisotopic Mass: 4.2
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]+	312.19582	178.2
[M+Na]+	334.17776	181.1
[M-H]-	310.18126	184.9
[M+NH4]+	329.22236	192.3
[M+K]+	350.15170	178.6
[M+H-H2O]+	294.18580	169.0
[M+HCOO]-	356.18674	200.6
[M+CH3COO]-	370.20239	212.5
[M+Na-2H]-	332.16321	180.1
[M]+	311.18799	180.6
[M]-	311.18909	180.6

Literature stripe

literature stripe

Patent stripe

patents stripe