CID 3685566

2-chloro-n-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]acetamide

Structural Information

Molecular Formula
C13H17ClN2O5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCl
InChI
InChI=1S/C13H17ClN2O5S/c1-20-12-3-2-10(8-11(12)15-13(17)9-14)22(18,19)16-4-6-21-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)
InChIKey
ZMUXZRVJHOCIFU-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.05466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06194 173.9
[M+Na]+ 371.04388 179.9
[M-H]- 347.04738 179.6
[M+NH4]+ 366.08848 185.1
[M+K]+ 387.01782 177.2
[M+H-H2O]+ 331.05192 166.9
[M+HCOO]- 393.05286 182.7
[M+CH3COO]- 407.06851 206.4
[M+Na-2H]- 369.02933 176.8
[M]+ 348.05411 177.7
[M]- 348.05521 177.7
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

No patent data available for this compound.