CID 3055370

2-((1-(9h-fluoren-2-yl)propyl)sulfinyl)acetamide

Structural Information

Molecular Formula

C₁₈H₁₉NO₂S

SMILES

CCC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)S(=O)CC(=O)N

InChI

InChI=1S/C18H19NO2S/c1-2-17(22(21)11-18(19)20)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11H2,1H3,(H2,19,20)

InChIKey

KGTZDUFDYTWUAG-UHFFFAOYSA-N

Compound name

2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 313.11365 Da
Monoisotopic Mass: 2.6
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]+	314.120926	173.4
[M+Na]+	336.102868	180.1
[M-H]-	312.106374	178.0
[M+NH4]+	331.147473	191.7
[M+K]+	352.076808	175.4
[M+H-H2O]+	296.110910	167.4
[M+HCOO]-	358.111851	188.2
[M+CH3COO]-	372.127501	208.7
[M+Na-2H]-	334.088316	173.0
[M]+	313.11310142	176.1
[M]-	313.11419858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe