CID 479454

2-(5-phenylpentylsulfonyl)acetamide

Structural Information

Molecular Formula
C13H19NO3S
SMILES
C1=CC=C(C=C1)CCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C13H19NO3S/c14-13(15)11-18(16,17)10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,14,15)
InChIKey
CXVLDFOZDALWKT-UHFFFAOYSA-N
Compound name
2-(5-phenylpentylsulfonyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.10855 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11583 161.7
[M+Na]+ 292.09777 167.2
[M-H]- 268.10127 164.1
[M+NH4]+ 287.14237 177.7
[M+K]+ 308.07171 163.3
[M+H-H2O]+ 252.10581 154.9
[M+HCOO]- 314.10675 178.6
[M+CH3COO]- 328.12240 196.1
[M+Na-2H]- 290.08322 163.6
[M]+ 269.10800 164.4
[M]- 269.10910 164.4
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.