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]+ 284.131476 166.1
[M+Na]+ 306.113418 171.2
[M-H]- 282.116924 168.3
[M+NH4]+ 301.158023 181.5
[M+K]+ 322.087358 167.0
[M+H-H2O]+ 266.121460 159.1
[M+HCOO]- 328.122401 182.7
[M+CH3COO]- 342.138051 199.1
[M+Na-2H]- 304.098866 167.6
[M]+ 283.12365142 169.1
[M]- 283.12474858 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

literature stripe

Patent stripe

No patent data available for this compound.