CID 88976

21626-69-7

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C12H16N2O4S/c1-10(15)13-11-2-4-12(5-3-11)19(16,17)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKey
WSVGZFWJCRPWAG-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

284.08307 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.090346 161.4
[M+Na]+ 307.072288 166.7
[M-H]- 283.075794 166.8
[M+NH4]+ 302.116893 174.1
[M+K]+ 323.046228 165.0
[M+H-H2O]+ 267.080330 153.7
[M+HCOO]- 329.081271 174.8
[M+CH3COO]- 343.096921 196.2
[M+Na-2H]- 305.057736 165.4
[M]+ 284.08252142 160.9
[M]- 284.08361858 160.9
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