CID 479453

2-(4-phenylbutylsulfonyl)acetamide

Structural Information

Molecular Formula
C12H17NO3S
SMILES
C1=CC=C(C=C1)CCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C12H17NO3S/c13-12(14)10-17(15,16)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKey
XFFSVXWUYZWLEA-UHFFFAOYSA-N
Compound name
2-(4-phenylbutylsulfonyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.09291 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10019 157.3
[M+Na]+ 278.08213 163.2
[M-H]- 254.08563 159.9
[M+NH4]+ 273.12673 173.8
[M+K]+ 294.05607 159.6
[M+H-H2O]+ 238.09017 150.7
[M+HCOO]- 300.09111 174.5
[M+CH3COO]- 314.10676 193.1
[M+Na-2H]- 276.06758 159.7
[M]+ 255.09236 159.6
[M]- 255.09346 159.6
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.