CID 3248467

1173052-99-7

Structural Information

Molecular Formula
C13H18ClN3O4S
SMILES
CNCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C13H18ClN3O4S/c1-15-9-13(18)16-10-2-3-11(14)12(8-10)22(19,20)17-4-6-21-7-5-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKey
ZUQZCMMIIYGAIH-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.07065 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07793 175.7
[M+Na]+ 370.05987 180.9
[M-H]- 346.06337 181.1
[M+NH4]+ 365.10447 186.5
[M+K]+ 386.03381 177.5
[M+H-H2O]+ 330.06791 168.4
[M+HCOO]- 392.06885 185.1
[M+CH3COO]- 406.08450 209.4
[M+Na-2H]- 368.04532 178.8
[M]+ 347.07010 177.2
[M]- 347.07120 177.2
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.