CID 2811058

Maybridge3_002023

Structural Information

Molecular Formula

C₂₃H₂₆N₂O₃

SMILES

C1CN(CCC1C(=O)NC2CC3=CC=CC=C3C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c26-22(24-21-14-19-8-4-5-9-20(19)15-21)18-10-12-25(13-11-18)23(27)28-16-17-6-2-1-3-7-17/h1-9,18,21H,10-16H2,(H,24,26)

InChIKey

ZFIWRMAHLGYTDE-UHFFFAOYSA-N

Compound name

benzyl 4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 378.19434 Da
Monoisotopic Mass: 3.4
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]+	379.201616	190.9
[M+Na]+	401.183558	192.5
[M-H]-	377.187064	198.3
[M+NH4]+	396.228163	202.5
[M+K]+	417.157498	187.8
[M+H-H2O]+	361.191600	180.6
[M+HCOO]-	423.192541	206.8
[M+CH3COO]-	437.208191	198.5
[M+Na-2H]-	399.169006	189.8
[M]+	378.19379142	186.0
[M]-	378.19488858	186.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.