CID 479455

2-(6-phenylhexylsulfonyl)acetamide

Structural Information

Molecular Formula
C14H21NO3S
SMILES
C1=CC=C(C=C1)CCCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C14H21NO3S/c15-14(16)12-19(17,18)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11-12H2,(H2,15,16)
InChIKey
QIJMBXFFPXXEEH-UHFFFAOYSA-N
Compound name
2-(6-phenylhexylsulfonyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.1242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13148 166.1
[M+Na]+ 306.11342 171.2
[M-H]- 282.11692 168.3
[M+NH4]+ 301.15802 181.5
[M+K]+ 322.08736 167.0
[M+H-H2O]+ 266.12146 159.1
[M+HCOO]- 328.12240 182.7
[M+CH3COO]- 342.13805 199.1
[M+Na-2H]- 304.09887 167.6
[M]+ 283.12365 169.1
[M]- 283.12475 169.1
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

No patent data available for this compound.