CID 4526531

N-fmoc-guvacine

Structural Information

Molecular Formula

C₂₁H₁₉NO₄

SMILES

C1CN(CC(=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C21H19NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,6-10,19H,5,11-13H2,(H,23,24)

InChIKey

BVZYISLKDUHKRZ-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 349.1314 Da
Monoisotopic Mass: 3.2
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]+	350.138676	181.6
[M+Na]+	372.120618	187.3
[M-H]-	348.124124	186.9
[M+NH4]+	367.165223	195.8
[M+K]+	388.094558	182.5
[M+H-H2O]+	332.128660	173.1
[M+HCOO]-	394.129601	197.1
[M+CH3COO]-	408.145251	191.0
[M+Na-2H]-	370.106066	182.5
[M]+	349.13085142	181.1
[M]-	349.13194858	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe