CID 33798

N-(4-((2-hydroxyethyl)sulfonyl)phenyl)acetamide

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCO
InChI
InChI=1S/C10H13NO4S/c1-8(13)11-9-2-4-10(5-3-9)16(14,15)7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKey
XIICKRYAUAVEQS-UHFFFAOYSA-N
Compound name
N-[4-(2-hydroxyethylsulfonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

34
Patents

243.05653 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 151.0
[M+Na]+ 266.04575 158.0
[M-H]- 242.04925 153.4
[M+NH4]+ 261.09035 167.8
[M+K]+ 282.01969 154.9
[M+H-H2O]+ 226.05379 145.0
[M+HCOO]- 288.05473 168.1
[M+CH3COO]- 302.07038 187.9
[M+Na-2H]- 264.03120 154.5
[M]+ 243.05598 153.4
[M]- 243.05708 153.4
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

patents stripe