CID 3715852

853725-36-7

Structural Information

Molecular Formula
C13H19ClN2O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCl
InChI
InChI=1S/C13H19ClN2O4S/c1-4-16(5-2)21(18,19)10-6-7-12(20-3)11(8-10)15-13(17)9-14/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKey
BISJRGFZKYGDPM-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08268 172.9
[M+Na]+ 357.06462 179.7
[M-H]- 333.06812 178.0
[M+NH4]+ 352.10922 188.2
[M+K]+ 373.03856 176.5
[M+H-H2O]+ 317.07266 166.7
[M+HCOO]- 379.07360 187.5
[M+CH3COO]- 393.08925 212.7
[M+Na-2H]- 355.05007 174.4
[M]+ 334.07485 181.2
[M]- 334.07595 181.2
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.