CID 16226848

873810-49-2

Structural Information

Molecular Formula
C14H19ClN2O4S
SMILES
CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C14H19ClN2O4S/c1-10-8-17(9-11(2)21-10)22(19,20)13-5-3-12(4-6-13)16-14(18)7-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKey
FFPDNVPIQHMRJP-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.082676 176.0
[M+Na]+ 369.064618 182.7
[M-H]- 345.068124 181.9
[M+NH4]+ 364.109223 187.7
[M+K]+ 385.038558 179.2
[M+H-H2O]+ 329.072660 169.2
[M+HCOO]- 391.073601 184.2
[M+CH3COO]- 405.089251 208.4
[M+Na-2H]- 367.050066 177.4
[M]+ 346.07485142 179.1
[M]- 346.07594858 179.1
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.