CID 3086147

Acetamide, n-(6-((2-hydroxyethyl)sulfonyl)-2-naphthalenyl)-

Structural Information

Molecular Formula
C14H15NO4S
SMILES
CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)CCO
InChI
InChI=1S/C14H15NO4S/c1-10(17)15-13-4-2-12-9-14(5-3-11(12)8-13)20(18,19)7-6-16/h2-5,8-9,16H,6-7H2,1H3,(H,15,17)
InChIKey
SHYLRVFVLIPPTN-UHFFFAOYSA-N
Compound name
N-[6-(2-hydroxyethylsulfonyl)naphthalen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

293.07217 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07945 163.0
[M+Na]+ 316.06139 170.5
[M-H]- 292.06489 166.2
[M+NH4]+ 311.10599 179.0
[M+K]+ 332.03533 166.3
[M+H-H2O]+ 276.06943 156.9
[M+HCOO]- 338.07037 178.8
[M+CH3COO]- 352.08602 198.9
[M+Na-2H]- 314.04684 167.9
[M]+ 293.07162 166.4
[M]- 293.07272 166.4
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