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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12093 173.4
[M+Na]+ 336.10287 180.1
[M-H]- 312.10637 178.0
[M+NH4]+ 331.14747 191.7
[M+K]+ 352.07681 175.4
[M+H-H2O]+ 296.11091 167.4
[M+HCOO]- 358.11185 188.2
[M+CH3COO]- 372.12750 208.7
[M+Na-2H]- 334.08832 173.0
[M]+ 313.11310 176.1
[M]- 313.11420 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe